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.