G831-0151 Screening compound: 2-chloro-N-{[3-(2-methoxyethyl)-3H-imidazo[4,5-b]pyridin-2-yl]methyl}-5-nitrobenzamide

G831-0151 Screening compound: 2-chloro-N-{[3-(2-methoxyethyl)-3H-imidazo[4,5-b]pyridin-2-yl]methyl}-5-nitrobenzamide
G831-0151 Screening compound: 2-chloro-N-{[3-(2-methoxyethyl)-3H-imidazo[4,5-b]pyridin-2-yl]methyl}-5-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G831-0151
2-chloro-N-{[3-(2-methoxyethyl)-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

G831-0151

Molecular Formula

C17H16ClN5O4 (C17 H16 ClN5 O4)

Compound Name

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

IUPAC name

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

SMILES

COCCn1c(nccc2)c2nc1CNC(c(cc(cc1)[N+]([O-])=O)c1Cl)=O

InChI

InChI=1S/C17H16ClN5O4/c1-27-8-7-22-15(21-14-3-2-6-19-16(14)22)10-20-17(24)12-9-11(23(25)26)4-5-13(12)18/h2-6,9H,7-8,10H2,1H3,(H,20,24)

InChI Key

ZTYRXLVROBVVFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27163807

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.8

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

2.538

Distribution Coefficient, logD

2.503

Water Solubility, LogSw

-3.61

Polar Surface Area

87.437

Acid Dissociation Constant (pKa)

8.48

Base Dissociation Constant (pKb)

3.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

G831-0151 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 G831-0151 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G831-0151?
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What is the minimum amount of G831-0151 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G831-0151
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G831-0151
  • 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 G831-0151 available by request