Fragments of high MedChem tractability
The largest enumerated database of synthetically feasible molecules
Impurity Reference Standards
Diverse covalent warheads with balanced reactivity
2 000 new building blocks are synthesized monthly. Here is an important update to our MedChem Highlights from September 2019
05 September 2019
Meet our delegates at International Symposium on DEL in Zurich to learn on our approaches in selecting DEL-compatible building blocks and on our advances in intriguing designs of novel chemotypes >>>
23 August 2019
In continuation of our efforts to make affordable screening libraries that can quickly be supplied for screening, we have plated two new targeted libraries designed to bring high quality and novelty to your hit finding program. Both freshly-made libraries are ready for fast shipment within only one week in various formats including assay-ready plates.
25 June 2019
In a recent JACS paper several academic groups collaborated on discovery of novel covalent inhibitors using a library of 993 acrylamides and chloroacetamides sourced from Enamine’s covalent fragment collection. The design was focusing on mild electrophiles that were supposed to overcome the selectivity challenge. The library was characterized by a new high-throughput thiol-reactivity assay and screened against 10 cysteine-containing proteins. Potent and unique primary hits have been found in the majority (7 out of 10) of cases.
Fragments with confirmed aqueous solubility
Ultimate tool for fragment screening
7 500 compounds
Solubility is critically important for fragment-based screening; assured solubility of fragments at high concentrations can prevent a number of issues during the screening procedure. We have confirmed experimentally aqueous solubility for 7 500 fragments in standard phosphate buffer at 1 mM; measurements were performed using nephelometry-based method. Representative subset of 3 000 compounds was designed using multi-vectoral diversity selection.
- High structural diversity was achieved via two approaches: diversity selection using fingerprint-based Tanimoto distance and molecular framework frequency analysis. Compounds bearing trivial and abundant chemotypes were removed to enhance novelty of the set.
Guaranteed aqueous solubility at 1 mM in PBS buffer and at 200 mM in DMSO
- Soluble Fragment Diversity Set can be readily followed with analogues either from stock or from validated syntheses. All required building blocks are available from Enamine stock.
Examples of the molecules in the library