June 16, 2016
Fragment screening performed with 19F NMR spectroscopy is becoming an essential and widespread method in drug discovery projects. Life Chemicals has designed unique Library of 100+ Fluorine Fragment Cocktails employing Rule of Three criteria and MedChem structure filters including PAINS. The choice of fluorinated motifs present in the library is fundamental in order to ensure a large coverage of chemical space and local environment of fluorine. Each cocktail contains 10 stock available fragments with most different 19F chemical shifts and mostly having only one peak in 19F NMR spectrum to facilitate interpretation of the screening results.
Detailed information on this set of fragments including Excel and sdf structure files is available from this link: /downloads/9357/F_Fragment_Cocktails
You can see 19F NMR spectrum of the cocktail #101 with the signals annotated to each fragment here.