G831-0405 Screening compound: N-({3-[(4-methoxyphenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}methyl)-4-nitrobenzamide

G831-0405 Screening compound: N-({3-[(4-methoxyphenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}methyl)-4-nitrobenzamide
G831-0405 Screening compound: N-({3-[(4-methoxyphenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}methyl)-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G831-0405
N-({3-[(4-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

G831-0405

Molecular Formula

C22H19N5O4 (C22 H19 N5 O4)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(Cn2c(nccc3)c3nc2CNC(c(cc2)ccc2[N+]([O-])=O)=O)cc1

InChI

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

InChI Key

HDSJQVKVYLSCTR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27163960

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

3.267

Distribution Coefficient, logD

3.266

Water Solubility, LogSw

-3.44

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

G831-0405 in Drug Discovery

Included in Screening Libraries

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

Epigenetics Focused Set (26518 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with G831-0405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G831-0405?
Check Price and Availability of G831-0405, 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 G831-0405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G831-0405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G831-0405
  • 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 G831-0405 available by request