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Fluorinated Fragment Library

2 100 compounds

One of the powerful screening techniques widely used nowadays in fragment based drug discovery (FBDD) is 19F NMR spectroscopy. It has been appreciated because of the high speed of screening and sensitivity in detection of molecular interactions. Furthermore, involvement of fluorine atoms in binding with proteins (e.g. through carbonyls) has been recently acknowledged. It is also well known that fluorination often improves molecular and ADME/Tox profiles of the compounds making fluorinated fragments better starting points for hit-to-lead optimization.

Enamine is experienced in fluorine chemistry with over 50 scientific publications in this research area issued in past 10 years. Our chemists are heavily involved in researching on synthesis and new methodologies for introducing of fluorine atoms in wide range of aliphatic/aromatic heterocyclic cores and different side chains.

  • High quality small molecules strictly compliant with full Rule of 3 requirements.
  • All the molecules are soluble at 1 mM in water PBS buffer solution, experimentally confirmed solubility with laser nephelometry based method.
  • 19F NMR chemical shifts are provided for all compounds in an excel or structure files, as well as 1H NMR pdf and/or raw data files.
  • No reactive and unstable compounds, stability tested in DMSO solution.
Parameter Range
MW 120 … 300
Heavy atoms 9 … 22
ClogP -1 … 3
Hb Donors 0 … 3
Hb Acceptors 0 … 3
RotBonds 0 … 3
TPSA ≤ 90 Å2

Examples of compounds from Fluorinated Fragment Library

EN

Molecular properties of the Library

Mol Weight LogP
TPSA Fsp3
Rot. Bonds Heavy Atom Count


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