T842-0064 Screening compound: (2,6-difluorophenyl)[3-(3-methyl-3H-imidazo[4,5-c]pyridin-2-yl)-1-pyrrolidinyl]methanone
Chemical Structure Depiction of ChemDiv screening compound T842-0064
(2,6-difluorophenyl)[3-(3-methyl-3H-imidazo[4,5-c]pyridin-2-yl)-1-pyrrolidinyl]methanone
Available from 1 mg
Formats:
- Glass Vials (4ml Glass Vials VWR #97047-678)
- 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)
Shiptime: 1 week worldwide delivery in most cases
Compound Identifiers
ChemDiv Compound ID
T842-0064
Molecular Formula
C18H16F2N4O (C18 H16 F2 N4 O)
Compound Name
(2,6-difluorophenyl)[3-(3-methyl-3H-imidazo[4,5-c]pyridin-2-yl)-1-pyrrolidinyl]methanone
IUPAC name
1-(26-difluorobenzoyl)-3-{3-methyl-3H-imidazo[45-c]pyridin-2-yl}pyrrolidine
SMILES
Cn1c(cncc2)c2nc1C(CC1)CN1C(c(c(F)ccc1)c1F)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
342.35
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
2.317
Distribution Coefficient, logD
2.307
Water Solubility, LogSw
-1.96
Polar Surface Area
37.443
Acid Dissociation Constant (pKa)
25.33
Base Dissociation Constant (pKb)
5.77
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
27.78
T842-0064 in Drug Discovery
Included in Screening Libraries
Nucleic Acid Ligands (8311 compounds)
Protein-Protein Interaction Library (218420 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Included in 1.7M Stock Database
- Infections
- Cancer
- Musculoskeletal
- Nervous system
- Hemic and lymphatic
- Immune system
- PPI modulators
- Cyclic compounds
References: we are preparing a list of scientific research reports with T842-0064 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)