G831-0220 Screening compound: 2-chloro-N-({3-[(3-methoxyphenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}methyl)-5-nitrobenzamide

G831-0220 Screening compound: 2-chloro-N-({3-[(3-methoxyphenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}methyl)-5-nitrobenzamide
G831-0220 Screening compound: 2-chloro-N-({3-[(3-methoxyphenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}methyl)-5-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G831-0220
2-chloro-N-({3-[(3-methoxyphenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}methyl)-5-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

G831-0220

Molecular Formula

C22H18ClN5O4 (C22 H18 ClN5 O4)

Compound Name

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

IUPAC name

2-chloro-N-({3-[(3-methoxyphenyl)methyl]-3H-imidazo[45-b]pyridin-2-yl}methyl)-5-nitrobenzamide

SMILES

COc1cccc(Cn2c(nccc3)c3nc2CNC(c(cc(cc2)[N+]([O-])=O)c2Cl)=O)c1

InChI

InChI=1S/C22H18ClN5O4/c1-32-16-5-2-4-14(10-16)13-27-20(26-19-6-3-9-24-21(19)27)12-25-22(29)17-11-15(28(30)31)7-8-18(17)23/h2-11H,12-13H2,1H3,(H,25,29)

InChI Key

USOXCLQKCFVFKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27163843

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.87

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

4.184

Distribution Coefficient, logD

4.149

Water Solubility, LogSw

-4.66

Polar Surface Area

86.389

Acid Dissociation Constant (pKa)

8.48

Base Dissociation Constant (pKb)

3.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

G831-0220 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with G831-0220 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G831-0220?
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What is the minimum amount of G831-0220 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G831-0220
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G831-0220
  • 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 G831-0220 available by request