G831-0079 Screening compound: 2-chloro-N-({3-[(4-methylphenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}methyl)-5-nitrobenzamide

G831-0079 Screening compound: 2-chloro-N-({3-[(4-methylphenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}methyl)-5-nitrobenzamide
G831-0079 Screening compound: 2-chloro-N-({3-[(4-methylphenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}methyl)-5-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G831-0079
2-chloro-N-({3-[(4-methylphenyl)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

G831-0079

Molecular Formula

C22H18ClN5O3 (C22 H18 ClN5 O3)

Compound Name

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

IUPAC name

2-chloro-N-({3-[(4-methylphenyl)methyl]-3H-imidazo[45-b]pyridin-2-yl}methyl)-5-nitrobenzamide

SMILES

Cc1ccc(Cn2c(nccc3)c3nc2CNC(c(cc(cc2)[N+]([O-])=O)c2Cl)=O)cc1

InChI

InChI=1S/C22H18ClN5O3/c1-14-4-6-15(7-5-14)13-27-20(26-19-3-2-10-24-21(19)27)12-25-22(29)17-11-16(28(30)31)8-9-18(17)23/h2-11H,12-13H2,1H3,(H,25,29)

InChI Key

VHHMITGMRLWEIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27163766

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.87

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.552

Distribution Coefficient, logD

4.517

Water Solubility, LogSw

-4.73

Polar Surface Area

78.845

Acid Dissociation Constant (pKa)

8.48

Base Dissociation Constant (pKb)

3.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

G831-0079 in Drug Discovery

Included in Screening Libraries

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 G831-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G831-0079?
Check Price and Availability of G831-0079, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G831-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G831-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G831-0079
  • 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 G831-0079 available by request