Teddy recently observed that it’s not the size of your library that matters, but how you use it. But how do you get a fragment library in the first place? You can of course build one up from scratch, but it may be easier to just buy one. Last year we put out a call for sources of commercial fragments and received some good comments. There are now some new suppliers of which we’ve recently become aware, so an updated list follows.
1190 fragments w. strict “Rule of 3”
11,717 fragment extension set
Focused on fragment-based discovery
1500 fragments available for purchase
4000 additional fragments in collaboration with Vitas-M
22,000 fragments w. MW < 300, clogP < 3
9000 fragments with rotatable bond, PSA, HBA limits
30,000 fragment library (MW < 350)
1000 fragments w. “Rule of 3” and solubility > 1mM
1500 Br- and 5300 F- containing fragments
352 very small fragments (Avg. MW 155)
Verified solubility at 200 mM
Does anyone have any experience using any of these? Are there others we’re missing? Let us know or post comments – anonymously if need be!