May 25, 2020

Useful updates- MolPort web tools

Searching in the MolPort database is often the first thing a scientist or researcher does when they want to find available compounds and suppliers. Searchers need quick, simple and intuitive access; they expect to search intelligently by name, structure/substructure/similarity (drawn, SMILES/SMARTS, file) and to filter by building blocks/screening compounds; and they want to understand, explore, and use the hits they get back. 
Because searching is such an important activity, MolPort is continually working to enhance the feature. This ensures that customers can have the fastest and most intuitive experience, and can make quick and immediate use of the search results to refine a hit list or place an order. 
Customer feedback is crucial in improving features and many of our most useful enhancements have come from customer suggestions of tweaks and changes that will make them more efficient and successful. 

We are therefore pleased to announce some valuable customer-suggested changes that will improve compound selection and usability:
1. Molecule Search Results
2. List Search 

1. Changes to Molecule Search Results

After you have run a compound search (via text, (sub)structure, SMILES/SMARTS or file), the hits are displayed in either a list view or a grid view, with a toggle to switch the view:
List and Grid View Toggle
List view
Grid view

In both these views, you can select and deselect compounds, and you can filter on in-stock and made-to-order compounds. You can also save all compounds or your selection to an SDfile.
Previously, you could not transfer hit from the List View direct to List Search. If you wanted to transfer all the compounds or your selection to List Search so that you could generate a quote, use more advanced filters, and place your order, this was only possible by downloading all the results and making the selection and transfer locally on your PC. Customers told us that this was inconvenient and time-consuming, and asked for a fix. 

NEW! Now you can transfer your selected compounds to List Search with one click on “Transfer selected to List Search” and immediately use List Search to make a final selection, estimate price with optimal for the whole list supplier selection, and create a quotation.

2. Changes to List Search

In the previous List Search user interface, customers reported some confusion in the structure display boxes: were they looking at the hit structure (the result of the search), or the query structure (what was searched for)? 
List Search Results Display: was not visible what structure was searched for?
 NEW! To remove this confusion, we have added a “Show Structure Images” checkbox that now displays an image of each searched structure:
Show Structure Images unchecked (Default setting) 
Show Structure Images checked
In addition, if you click on the “Edit” button in the “Status” column, you will see compound images for the relevant suppliers’ catalogs:
Click Edit to see Supplier Catalog Display
NEW: Customers also requested the ability to display and sort on molecular weight in the List Search Results display, and this now appears as a sortable column on the right.

If you have further questions, please don't hesitate to ask help to our Customer Support team on or by filling this web form.

May 5, 2020

MolPort Real-time Order Tracking and Documentation

With the MolPort order tracking system, customers can see where their order is at any point in time - from when an order is placed until it is delivered. Keep up to date with your order!

If you have used MolPort order tracking before, please see the changes for registered/non-registered access and report sections 3 and 5.

The order tracking service is available to everyone who places an order with us.

Registered users at have access to their complete order, including order packing data download, product list and information about invoices. If a customer is not registered, this can be easily done using this free Registration link.

Non-registered users can access their current order only. They can see an overview of the order: number of items, status, latest delivery date and shipment summary.

Preview of non-registered user access:

Preview of registered user access:

Report sections:

No.1 Order tracking

Overview of order: number of items, status, latest delivery date and shipment summary. A download link to a spreadsheet with the detailed status for all ordered products is also available.

No.2 Order status

As order transitions from one phase to the next, completed order process stages are marked green. Order may transition through following stages (actual order stages vary by order):

Order received
order has been received, registered and processed by MolPort
Compounds processing
compounds are being processed by suppliers (QC, packaging, shipment preparation)
package has been prepared and is waiting for the shipment
In transit
compounds are in transit from supplier to MolPort warehouse
In MolPort Warehouse
compounds have been received at MolPort warehouse and are waiting for the shipment or additional services
compounds have been received at MolPort warehouse and are being re-formatted in customer’s preferred format – re-weighing, sample splitting, DMSO solutions
compounds are shipped out to customer address
number of ordered compounds that cannot be delivered and have been cancelled from the order

No.3 Invoices

An overview of the order invoice details, including the Billing and Shipping addresses and contact person. Prior to order shipment, there is an estimated invoice value. After the order is shipped, the actual invoice number, issue date and value will be visible.

No.4 Shipment summary

A shipment summary becomes available after a package is sent out to customer address. This includes:
  • Shipping courier name;
  • Shipment type (direct shipments from suppliers or single shipment from MolPort warehouse);
  • Tracking number (including a link to real time tracking at the courier’s website);
  • Packing list (packing data as Excel and SDF files).

No.5 Detailed delivery progress

The delivery progress report section lists the status of each ordered product. You can filter the product list by:
Supplier name
Status (In transit, Shipped, Cancelled, Processing, in MolPort warehouse)
Ordered amount
Expected and actual ship date
Invoice number and courier tracking number

We are able to follow and provide insight into the status of the order through its entire journey to the customer.

March 24, 2020

MolPort is here to help

As MolPort is based in Riga, we’re happy to report that the Latvian authorities took correct, early, proactive measures (before many European and other countries) and the corona virus situation seems to be under control so far – though we are all watching to see how things may develop. 

At MolPort we are working 100% as usual. As well as following all public recommendations, we’re taking special preventative measures for our employees: and we’re monitoring the activities, performance, and individual circumstances at all our suppliers, in order to anticipate any potential changes in your orders. 

We are committed to our employees’ safety and well-being, while at the same time running the business in a responsible manner with all our functions and services working normally. We hope that the circumstances will eventually improve for everybody around the world.

MolPort Services- last update 29.06.2020

We understand customers’ requirements to minimize disruption to your research programs, and we are available to offer whatever help you need for regular orders, library design data, consulting, sample sourcing, ordering, reformatting, and logistics. 
We are working as normal with all orders and inquiries.

  • Our Customer Support and Key Account Manager teams are fully available during office hours, as responsive as always.
  • The Laboratory is running ongoing daily reformatting operations.
  • Logistics: There are no limitations in shipping service. 
Using consolidated delivery from MolPort instead of receiving many packages from different suppliers might be of particular value now, as some companies are restricting parcel delivery to a maximum per day.

  • Suppliers
GreenSupplier is working as usual
Light greenSupplier is working, some minor delays are possible
RedSupplier is closed

SupplierColor codeNotes
A2B Chem LLC
AK Scientific, Inc.
AKL Research LLP
Alinda Chemical
Trading Company
AnalytiCon Discovery, GmbHShort delays with shipping are possible
Angene (China)
Apexmol technology Co.,Ltd
Apollo Scientific
Axon Medchem
BIONET - Key Organics Ltd.
BIOTREND Chemicals, AG
BLD Pharmatech Ltd.
Cayman Europe
Certumtech, UAB
Chem4Pharma Is closed at the moment
ChemBridge CorporationOnly ships once a week
ChemDiv, Inc.
Combi-Blocks, Inc.
Debye Scientific
Dr. Silviu Pharmachem
EDASA Scientific
ENAMINE Ltd.Short delays with shipping are possible
EvoBlocks, Ltd.
FCH Group (made-to-order)
Fluorochem Limited
HTS Biochemie Innovationen
InterBioScreen Doo.Short delays with shipping are possible
IRIS Biotech
Keminntek Laboratories
LeadGen Labs
Life Chemicals Inc.
Manchester Organics
Maybridge, Ltd.
MedChemExpress EuropeShort delays with shipping are possible
MolPort, Ltd.
Otava, Ltd.
PBMR Labs Ukraine (made-to-order)
Pharmeks, Ltd.Short delays with shipping are possible
Pure Chemistry Scientific
Ramidus AB
Selleck Chemicals LLC
SpecsShort delays with shipping are possible
Squarix GmbH
SynChem, Inc.
Tocris Bioscience
UkrOrgSynthesis Ltd. (stock)Short delays with shipping are possible
Vitas-M Laboratory, Ltd.May be delays for some of the ordered compounds from the supplier
If any of our suppliers faces closure, our extensive coverage should allow us to source any needed compounds from many other suppliers.

Frequently asked questions

1. What happens if at some point I can't receive my package?

If the recipient can't temporarily receive parcels, that's OK: the packages won’t get stuck in limbo. MolPort can store your orders free of charge for a few weeks if there are issues when we are ready to ship your compounds, such as your logistics facility being closed. Once we get your green light, we’ll ship safely to the destination.

2. What happens to my order if some compounds are delayed in a multiple-compound order? Can the delivery be split or sent as a partial delivery? Are there additional costs for splitting?

MolPort will be tracking the fulfillment of your order, and we will contact you promptly if any supplier cannot make a shipment in the expected time frame. If any part of the order is delayed, we will offer a split shipment at no additional delivery cost.

3. If a supplier is closed, will I still see their compounds in search results?

Their compounds still will be visible in our searches: but the lead time will be an estimate, based on when we think they will open.

4. What will happen to my order if national borders are closed?

For now they are not closed for logistics, and if a supplier can’t ship, we can substitute the supplier, if possible. If a supplier can ship, but MolPort can’t, we would organize drop-shipping. If a supplier can ship but the client can’t receive the shipment, we can hold it in our warehouse. 

5. How should I purchase compounds, in order to receive them in the fastest possible time?

Check the most recent lead time for the supplier. We will update supplier lead times based on the latest information that we receive from them. And read our Blog update for specific supplier details and information.

6. What will happen to my order if I order from a specific supplier, and they can’t ship?

We can switch the suppliers, if the customer is willing to accept any price differences, and if the compound(s) are actually available at different suppliers.

7. What are MolPort doing to stay open and continue operations?  What precautions are MolPort taking and how?

We are following all government and World Health Organization guidelines. 

!!! Please add your question in the comment area, and we will post the answer in the Blog

February 13, 2020

On Compound Salt Forms

In order to dissolve a compound to make a solution of a specified concentration, you need to know its molecular weight. Most compounds are sold in a pure (non-salt) free form and it is clear what the molecular weight is: but a number of compounds are sold in a salt form, which means that you need to calculate the effective molecular weight that takes into account the compound to salt weight ratio. We therefore strongly prefer the salt information to be included in the structure diagram of the product, as in this example:

tert-butyl 4-(3-aminopyrrolidin-1-yl)piperidine-1-carboxylate


tert-butyl 4-(3-aminopyrrolidin-1-yl)piperidine-1-carboxylate has molecular formula C14H27N302 and molecular weight 269.39 g mol-1.

The effective molecular weight can then be normalized to one molecule of the compound and used to calculate the weight of compound needed for a particular concentration. For the example above dot-disconnected is formula C14H27N302.1:1.5C2H2O4 and effective molecular weight 404.44 g mol-1.

Suppliers don’t always include salt data in the chemical structure diagram of the compound. A common approach is to include a field called Salt or Salt Data where the salt identity and stoichiometric ratio can be provided.

There are over 1600 unique salt comments in the MolPort database. This means that a given salt may be described in text in multiple ways.

Here are some examples we see for representing the chloride salt of a compound:

Representing the chloride salt of a compound

When stoichiometry and salt and solvate combinations are included, there are even more variations.

Here are the 100 most commonly encountered salt field comments:

While it is feasible to manually calculate the correct effective molecular weight for one or a few compounds, it is nevertheless inconvenient. For large library acquisitions, manual interpretation and calculation are simply not practical. At MolPort we have been working on a process that interprets supplier-provided salt data comments and adds this information to the chemical structure of a product.

Currently we are successfully processing approximately 99% of the salt comments. When we update supplier catalogs, this information is transformed and added to the chemical structure. The free form and the salt form are saved as different structures and are assigned different MolPort IDs. As we process more and more supplier catalogs with the new process, you will notice that some of the previously available free-form compounds become unavailable and new MolPort IDs become available (for the salt forms of the structures).

We are planning to add new fields to the MolPort database export files and API. We will post more details in the near future.

Imants Zudāns

November 12, 2019

Announcing Screening Compound Solubility Crowdsourcing

Today MolPort is launching a new initiative with the goal of crowdsourcing screening compound solubility. This blog post explains why. You are welcome to use one of these quick links for navigation to the right resource.

Quick links:

About the initiative

One of the issues that screening compound buyers bring up most frequently is compound solubility. It used to be discussed at compound management conferences. Scientists and compound managers estimate that 1-5% of the compounds they purchase for their screening projects or compound libraries can not be dissolved. For large library acquisitions this is sort of an annoying fact of life. You spend time to carefully build your library – perform diversity analysis and choose compounds carefully to represent as broad a chemical space as possible. And then when you procure the compounds you get out-of-stock cancellations, QC failures and insoluble compounds. The chemical space puzzle you labored so carefully to cover in full ends up having blank spots. While you do not pay for cancelled compounds and get a refund for QC-failed compounds, there are usually no guarantees that a compound is soluble and therefore you end up paying for samples that you can not use. Therefore, this category is a real budget-waster.

Large compound libraries typically have multiple similar compounds. Cancellation of any single compound may not affect screening results significantly. As in-silico modeling algorithms improve and are augmented by machine learning algorithms, the typical size of a screening library is shrinking. The loss of data points for any reason is therefore more important. Losing a few data points because of compound insolubility may mean that you need to buy another set of compounds, wait for their delivery and screening results.

We are working to increase screening compound sourcing ease and efficiency: reducing lead times, minimizing cancellations with more up-to-date inventory data, reformatting of samples. However, compound insolubility is still a common concern. Software tools predicting compound solubility are constantly improving. We have seen how their use makes a real improvement. Yet, they do not yet have a perfect prediction capability. Why can't solubility be measured? It is a complex test and it would be expensive and time consuming to run it on 7 million commercially available compounds.

Most often, screening compounds are dissolved in DMSO. Currently 10mM concentration seems to be the industry standard. A precise solubility value is not needed. All one needs to know when buying compounds for screening is whether it is possible to create their 10mM DMSO solution.

Pharmaceutical companies, academic and non-profit screening institutes and other R&D centers have been buying screening compounds for over a decade. It is reasonable to assume that nearly every compound suppliers’ list in their catalogs has been purchased and attempted to dissolve. Information systems of organizations are full of data: what is soluble and what is not. Yet, apart from a few mentions in publications, this information is locked up and inaccessible. Organizations continue to waste their resources on compounds that someone already tried and failed to solubilize.

We at MolPort have discussed compound solubilization issues with our clients. What can we do to help scientists around the world to avoid buying not fit for purpose compounds? One way to do that is to create a compound solubility data bank. Several of our clients agreed to share their data with us. We already know which compounds they ordered, so confidentiality is not an issue. We combined data from multiple sources and incorporated this information on our website and downloadable data. You can read more about it on a documentation page. These data are available free of charge to anyone interested. Currently we have data on about 1/7 of the stock compounds listed in the MolPort database. These data may not be perfect. Use it as a guide. We internally at MolPort do not say a compound is insoluble, we say that solubilization problems were reported by a client. So don't use this data as a training set for solubility software. It is not meant for that. But the label name aside, it may be safer to choose a soluble analogue of a compound with reported solubilization problems, when that is possible.

How to contribute

And now the important part. We know that not every organization will be able to share their data. But everyone can benefit from knowing compound solubility. We lack data for 6 million compounds. Please, contribute your data to this pre-competitive initiative. If you can't share data, talk about this project to someone who can share. It does not matter that you have few data – you may have data on compounds that no one else has covered. Help us spread the message. The more organizations that participate, the quicker we will cover all commercially available compounds.

Do you have suggestions for improvements or questions? If so, please, use the blog comments below this post or contact MolPort privately.

A data template, to share solubility data for addition to the online MolPort database, together with more details about database is available on MolPort Solubility Center.

We will use hashtag #CompoundSolubility to share news about this project.

Subscibe to MolPort bi-monthly Newsletter to receive updates on this project and other MolPort developements.

Imants Zudāns


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