May 18, 2012

Preview: Screening compound sourcing preferences

Just a couple of days ago I wrote about the upcoming MolPort screening compound sourcing portal and what to expect from it in general. This time I will reveal some details on uploading the compound list and compound sourcing preferences or filters.

Uploading compounds


Initially, we will be accepting the compound list as an SD file (*.sdf) or text file with MolPort IDs or smiles SMILES. If in the quote or documentation you need to have your compound reference number (such as your internal database ID), add a column named “ID”. Otherwise we will use a compound sequence number in the file.

Before uploading the file, you will need to specify your sourcing preferences.

Sourcing preferences


Here is a screenshot of the form where a new request is started:





QuantityHow much of each compound you need? It happens that you may want to buy 10mg, but no supplier has more than 7mg available. What should happen? Do you still want the 7mg or you don’t care for getting only part of what you need? We will give you the option to tell us exactly what to do when full quantity is not available.
If you would prefer to order in micromoles, this option will be available, but later. First, we want to get the compound selection workflow right.
Lead timeHaving experienced myself the frustration of happily ordering a compound only to find out that it is actually no longer available or can be delivered in two months, we have given you the option to choose the maximum time within which compounds should be delivered.
PriceYou don’t want to buy expensive compounds? What is your limit: 200, 100, 50 dollars per compound? Just set the maximum acceptable price and we will filter them out accordingly.
StereochemistryInitially there will be three options to match the stereochemistry:
  1. exactly the isomer you requested;
  2. the exact isomer or a racemic mixture or
  3. any available isomer.
I must add that options 2 and 3 will look for the most practical purchase option among matching compounds. For example, if you chose option 2 and the exact isomer costs USD 150 but the racemic mixture USD 25, you will get the racemic mixture.
SaltsSalt information will be ignored. In the delivery documentation we will tell the salt form of each compound (if any) and the effective molecular weight (compound + salt).
FormatYou can order any format you need as long as it is standard supplier vials. Option to order plated compounds will come later.


What else?


So how does that fit your screening compound sourcing needs?

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