Fragment Library

INTEGREX Research designed a small valuable set of fragments with optimal representation of chemical space and diversity.

Library design

The starting point was a set of 4.000 compounds that obey the rule-of-3, allowing one violation. These were grouped in 50 clusters on basis of shape and chemical diversity. The cluster size was set at 85 compounds in order to obtain a final selection of about 1.500 compounds. Please note that in this exercise compound uniqueness was NOT a criterion.

Successful screens were performed so far generating novel chemotypes.

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1500 fragments selected on basis of diversity in shape and chemical structure - IFL shows a preferential pattern when compared to fragment libraries of competitors.

Business model

INTEGREX Research provides customers with its proprietary fragment library for medium throughput screening in the hit finding process. The selling point is the smart design of the compound collection. In this respect, we do not allow cherry picking. Compounds will be delivered in 96 or 384 wells plates, 10 μl per well, 10-1 M in 100 % DMSO.

Resynthesis is possible on demand (or delivery from stock).

Pricing

  1. One set of the library in 96- or 384 wells plate including structures € 15.000,00
  2. As 1 but without structures: €10.000. Structure per hit or hitclass: € 2.000,00