G831-0048 Screening compound: N-({3-benzyl-3H-imidazo[4,5-b]pyridin-2-yl}methyl)-3,4-diethoxybenzamide
Chemical Structure Depiction of ChemDiv screening compound G831-0048
N-({3-benzyl-3H-imidazo[4,5-b]pyridin-2-yl}methyl)-3,4-diethoxybenzamide
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
G831-0048
Molecular Formula
C25H26N4O3 (C25 H26 N4 O3)
Compound Name
N-({3-benzyl-3H-imidazo[4,5-b]pyridin-2-yl}methyl)-3,4-diethoxybenzamide
IUPAC name
N-({3-benzyl-3H-imidazo[45-b]pyridin-2-yl}methyl)-34-diethoxybenzamide
SMILES
CCOc(ccc(C(NCc(n1Cc2ccccc2)nc2c1nccc2)=O)c1)c1OCC
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
430.51
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
10.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
3.474
Distribution Coefficient, logD
3.474
Water Solubility, LogSw
-3.55
Polar Surface Area
59.884
Acid Dissociation Constant (pKa)
11.47
Base Dissociation Constant (pKb)
3.73
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
24.00
G831-0048 in Drug Discovery
Included in Screening Libraries
Epigenetics Focused Set (26518 compounds)
Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)
Included in 1.7M Stock Database
- Cancer
- Digestive system
- Female
- Hemic and lymphatic
- Metabolic
- Immune system
- Others
References: we are preparing a list of scientific research reports with G831-0048 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)