Are you looking for a fragment library that supplies the following data package for each aqueous soluble fragment? Provision of this data will enable practitioners to rapidly build fragment pools and initiate screening.
- Aqueous buffer 1H NMR pdf
- Aqueous buffer 1H NMR raw data file
- 1H NMR chemical shifts supplied in an excel file
Key Organics is pleased to announce the release of the 2nd Generation BIONET Premium Fragment Library. The library has been constructed in collaboration with the Center for the Development of Therapeutics, Broad Institute and NMX Research and Solutions Inc.
Key Features and Benefits:
- 1166 compounds with experimentally assured aqueous solubility in PBS buffer.
- Excludes fragments deemed to aggregate as determined by 1H NMR spectra
- 1H NMR pdf and raw data files provided for all compounds purchased, chemical shifts provided for all compounds in an excel file.
- Strictly meet Astex Rule of 3 including polar surface area ≤ 60 and number of atoms ≤ 16
- Includes 445 fragments found in approved drugs and >1100 sharing cores found in drugs
- Filtered to exclude promiscuous and reactive substructures
The BIONET Premium Fragment library is now available in milligram or micromolar quantities. Cherry picking is available.
Download the SD file here
Download example NMR PDF here
Download example RAW NMR DATA here
For further information or to discuss your requirements, please contact Andrew Lowerson by email or on +44 (0)1840 212137
NMX Research and Solutions Inc.,
500 Cartier Blvd.,
Suite 6000,
Laval,
Québec,
Canada H7V 5B7.
Center for the Development of Therapeutics,
Broad Institute,
415 Main Street,
Cambridge, MA 02142
USA
