G831-0072 Screening compound: N-({3-benzyl-3H-imidazo[4,5-b]pyridin-2-yl}methyl)-2-(trifluoromethyl)benzamide

G831-0072 Screening compound: N-({3-benzyl-3H-imidazo[4,5-b]pyridin-2-yl}methyl)-2-(trifluoromethyl)benzamide
G831-0072 Screening compound: N-({3-benzyl-3H-imidazo[4,5-b]pyridin-2-yl}methyl)-2-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G831-0072
N-({3-benzyl-3H-imidazo[4,5-b]pyridin-2-yl}methyl)-2-(trifluoromethyl)benzamide

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

G831-0072

Molecular Formula

C22H17F3N4O (C22 H17 F3 N4 O)

Compound Name

N-({3-benzyl-3H-imidazo[4,5-b]pyridin-2-yl}methyl)-2-(trifluoromethyl)benzamide

IUPAC name

N-({3-benzyl-3H-imidazo[45-b]pyridin-2-yl}methyl)-2-(trifluoromethyl)benzamide

SMILES

O=C(c1c(C(F)(F)F)cccc1)NCc(n1Cc2ccccc2)nc2c1nccc2

InChI

InChI=1S/C22H17F3N4O/c23-22(24,25)17-10-5-4-9-16(17)21(30)27-13-19-28-18-11-6-12-26-20(18)29(19)14-15-7-2-1-3-8-15/h1-12H,13-14H2,(H,27,30)

InChI Key

SPCIYHRXCKRWMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27163761

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.029

Distribution Coefficient, logD

3.744

Water Solubility, LogSw

-4.43

Polar Surface Area

45.463

Acid Dissociation Constant (pKa)

7.43

Base Dissociation Constant (pKb)

3.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

G831-0072 in Drug Discovery

Included in Screening Libraries

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

Therapeutical Diversity Annotated Library (7563 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Epigenetics Focused Set (26518 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G831-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G831-0072?
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What is the minimum amount of G831-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G831-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G831-0072
  • 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 G831-0072 available by request