G831-0310 Screening compound: N-({3-[(4-fluorophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}methyl)-2H-1,3-benzodioxole-5-carboxamide

G831-0310 Screening compound: N-({3-[(4-fluorophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}methyl)-2H-1,3-benzodioxole-5-carboxamide
G831-0310 Screening compound: N-({3-[(4-fluorophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}methyl)-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G831-0310
N-({3-[(4-fluorophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}methyl)-2H-1,3-benzodioxole-5-carboxamide

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

G831-0310

Molecular Formula

C22H17FN4O3 (C22 H17 FN4 O3)

Compound Name

N-({3-[(4-fluorophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}methyl)-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-({3-[(4-fluorophenyl)methyl]-3H-imidazo[45-b]pyridin-2-yl}methyl)-2H-13-benzodioxole-5-carboxamide

SMILES

O=C(c(cc1)cc2c1OCO2)NCc1nc2cccnc2n1Cc(cc1)ccc1F

InChI

InChI=1S/C22H17FN4O3/c23-16-6-3-14(4-7-16)12-27-20(26-17-2-1-9-24-21(17)27)11-25-22(28)15-5-8-18-19(10-15)30-13-29-18/h1-10H,11-13H2,(H,25,28)

InChI Key

FPTAPEQXJHRNBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27163914

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.310

Distribution Coefficient, logD

3.310

Water Solubility, LogSw

-3.53

Polar Surface Area

62.579

Acid Dissociation Constant (pKa)

11.47

Base Dissociation Constant (pKb)

3.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

G831-0310 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 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 G831-0310 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G831-0310?
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What is the minimum amount of G831-0310 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G831-0310
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G831-0310
  • 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 G831-0310 available by request