G831-0262 Screening compound: N-({3-[(3-methoxyphenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}methyl)-4-nitrobenzamide

G831-0262 Screening compound: N-({3-[(3-methoxyphenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}methyl)-4-nitrobenzamide
G831-0262 Screening compound: N-({3-[(3-methoxyphenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}methyl)-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G831-0262
N-({3-[(3-methoxyphenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}methyl)-4-nitrobenzamide

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

G831-0262

Molecular Formula

C22H19N5O4 (C22 H19 N5 O4)

Compound Name

N-({3-[(3-methoxyphenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}methyl)-4-nitrobenzamide

IUPAC name

N-({3-[(3-methoxyphenyl)methyl]-3H-imidazo[45-b]pyridin-2-yl}methyl)-4-nitrobenzamide

SMILES

COc1cccc(Cn2c(nccc3)c3nc2CNC(c(cc2)ccc2[N+]([O-])=O)=O)c1

InChI

InChI=1S/C22H19N5O4/c1-31-18-5-2-4-15(12-18)14-26-20(25-19-6-3-11-23-21(19)26)13-24-22(28)16-7-9-17(10-8-16)27(29)30/h2-12H,13-14H2,1H3,(H,24,28)

InChI Key

WMBUSQYTMUXPTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27163880

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.340

Distribution Coefficient, logD

3.339

Water Solubility, LogSw

-3.62

Polar Surface Area

86.389

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

3.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

G831-0262 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Epigenetics Focused Set (26518 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with G831-0262 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G831-0262?
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What is the minimum amount of G831-0262 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G831-0262
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G831-0262
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of G831-0262 available by request