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Selcia fragment library

The Selcia Fragment Library is available in conjunction with our CEfrag screening service but not for sale directly. It consists presently of approximately 1500 compounds that have been carefully selected based on the following criteria


  • Rule-of-3 criteria
  • Calculated and measured solubility >1mM
  • Quality control ≥95% purity
  • CLogP 0-3
  • MW <300 (Mostly <250)
  • 9-15 heavy atoms
  • Polar Surface Area <90
  • H bond donors =<3; H bond acceptors =<5
  • At least 1 H bond donor or acceptor
  • Rotatable bonds =<5; rings not >7 member
  • Chemically expandable, near neighbours available
  • Attractive to Medicinal Chemistry expansion
  • Diversity in chemical space
  • Low overlap with other commercial libraries
  • 20% of compounds form substructures of marketed drugs

 

Diversity Analysis

Majority of compounds are singletons. Clusters generated using MOE with a Tanimoto coefficient of 0.85.



Functional Groups

  • Amines 431 (prim 304, sec 94, tert 84)
  • Carboxylic Acids 301
  • Amides 80
  • Hydroxy 261
  • Aromatic 1106
  • Heterocyclic 487
  • Aryl Halo 326 (F 105, Cl 191)
  • Ether 206

21.09.10 - BOS non-clinical 2010

Selcia are attending the Biotech Outsourcing Strategy (BOS) conference 2010 in London UK on 21 September 2010.

20.09.10 - Cell-based Assays 2010

Selcia is attending the VisionGain Cell-based Assays conference in London, UK from 20-22 September 2010.

14.09.10 - ChemOutsourcing Long Branch NJ USA

Selcia are exhibiting at the 2010 Pharma ChemOutsourcing Conference and Exhibition on 14-16 September 2010 at the Ocean Place Resort, Long Branch, NJ, USA