October 27, 2015

MolPort API version 3.0 release

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We upgraded MolPort API to version 3.0.

We have made these changes (or visit API History of Changes):

  • New interface to allow chemical search by SMILES and SMARTS. We support exact, similarity, substructure and superstructure chemical searches.
  • Migration from XML to JSON data format because is much friendlier than XML, it is smaller, human readable and can now be used with all popular programming languages.

Not using Our API? Request access

About the API

  • The MolPort API is implemented as REST interfaces.
  • It is the easiest way to access current compound availability data from your workflow.
  • We have sample projects available in Java and C# programming languages to demonstrate the routines for API calls, data serialization, etc.
  • Take a look at the API Documentation to see the data structures that are used.

How to use? Two ways:

  1. Run SMILES or SMARTS structure queries on MolPort available compound database. Results will list SMILES and MolPort IDs of matching compounds.
  2. Load detailed compound availability information for a known MolPort ID (after structure search API request or if you downloaded our FTP database).

September 10, 2015

Email your Shopping Cart to a Colleague or Supervisor

Let’s say you are looking for compounds online. You put together an order using the structure search or list search and now you have the items in your shopping cart. Are you ready to check out, or is something stopping you?

Does your colleague want to add items to your order? Email the shopping cart to them and they can add their items to your shopping cart, and then they can place the combined order. If you need approval from a supervisor, send your shopping cart via email so they can add or remove items. Or, send it to your purchasing officer to complete the order. Why not email it to yourself? You can! That way you can take a break, switch computers, then pick up where you left off.

Shopping Cart Sharing was created for collaborative compound ordering.

How to Share Your MolPort Shopping Cart 

1. Prepare Shopping Cart by selecting compounds
2. Email Shopping Cart to yourself or someone else
3. Add or remove items then place the order – or send it further

Select compounds and put them in your shopping cart. Send your shopping cart of selected compounds to another person with the "E-Mail to Colleague" link shown below.


You will enter the colleague’s information and a short message.

After sending the email you will get a notification (see lower) and your colleague will get an email. Notice that you still have your shopping cart items. Look at the very top right corner. The items will stay there until you accept to edit a different shopping cart.

Your colleague will get an email similar to the one shown below. Follow the link to get to the shopping cart. Make changes and checkout - or send it further!

Was this tip helpful? See more announcements on our Forum, and please share any tips and questions you might have.

Find Compounds, Choose Suppliers and Order Dozens of Compounds - All in 1 Minute

Have you ever had to purchase a set of compounds, so you search one by one, pondering which supplier to choose for each compound to minimize shipping charges, all while thinking: Why can't I simply upload the whole list and let the computer calculate the best way to order this set of compounds?

Now you can use MolPort List Search tool to convert your compound list to a quote customized to your criteria. Of course, you can finish the order online, too.

Even though you can send your compound list to MolPort customer support and get a quote in that same business day, there are still advantages to doing it yourself. With List Search you can convert your SDF file, SMILES or MolPort ID list to a shopping wish list in just a few steps.

You can customize your shopping list quickly and with little effort: change supplier ranking algorithms, set maximum lead time or price cap, and adjust desired quantity. This is all performed on the current vendor data. It is useful to customize your list if you are not yet absolutely sure which compounds to purchase, or when you need to see the complete offer to understand which changes to make next, and you need it done instantly.

How the Compound List Search Works

Watch step by step List Search User Guide (Prezi presentation), or read on:

Start by uploading your compound list. Use this simple form to copy/paste the list from Excel or another program, or upload an SDF file.

In the next window you will be asked to confirm if the engine read your data correctly. Adjust if necessary, and press the Confirm and Process button.

The compound list will be processed, matching the entries with commercially available compounds. Then, for each entry you’ll see the available quantity, supplier reliability, lead time and price. All factors available to MolPort will be considered to prepare an optimized shopping list. Our algorithms take into account shipping charges as well. Sometimes it is cheaper and smarter to buy a more expensive compound (by comparison) in order to keep the number of shipments to a minimum.

You can adjust this shopping list according to your preferences. Most of the time you can go from the compound list to the final shopping list in about one minute.

When you have the shopping list finalized, you can either generate a quote for your purchasing department or place an order online and pay with a credit card.

Question? Ask them on our Forum. Ready to get started? Visit our site

September 9, 2015

MolPort adds 16 New Suppliers: Fluorochem, HTS Biochimie, Tocris and more!

MolPort database covers all major compound suppliers for drug discovery. We also understand that easy access to the products of a small supplier are equally impotant to our clients. A supplier may sell only a few hundred compounds, but they may be unique and add important chemical diversity to your libraries.

Since last year, we added 16 new suppliers to our database and now it contains 21 screening compound suppliers and  46 building block suppliers. Many suppliers have increased their made-to-order product range, too! See the new supplier statistics:
Supplier Compounds Unique compounds Unique, % Delivery Days
Fluorochem Limited 174154 43334 25 2
Chiralix 154 112 73 3
AKL Research LLP 2884 107 4 3
EDASA Scientific 392 162 41 3
LeadGen Labs 1298 9 1 4
Labseeker 10397 605 6 5
King Scientific 24484 1309 5 5
Bide Pharmatech Ltd. 51385 1396 3 5
Tocris Bioscience 2663 1647 62 7
Dr. Silviu Pharmachem 49 18 37 7
J&K SCIENTIFIC LTD. 7124 475 7 7
Tractus Company Limited 12503 445 4 7
HTS Biochemie Innovationen 4062 123 3 7
BioBlocks 1029 4 0 7
SynQuest Laboratories, Inc. 72458 5227 7 10
Debyesci 626 77 12 30

If you are accessing MolPort database via FTP, download the latest files to see products sold by these companies. To webservice users, new products become available automatically.

We would like to thank ALL suppliers for opening their catalogues to MolPort database users!

Would you like to see a particular supplier on MolPort? Let us or them know!

Are you a supplier and would like to make your products available through MolPort, read more.


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