G831-0231 Screening compound: 2-fluoro-N-({3-[(3-methoxyphenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}methyl)benzamide

G831-0231 Screening compound: 2-fluoro-N-({3-[(3-methoxyphenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}methyl)benzamide
G831-0231 Screening compound: 2-fluoro-N-({3-[(3-methoxyphenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G831-0231
2-fluoro-N-({3-[(3-methoxyphenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}methyl)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

G831-0231

Molecular Formula

C22H19FN4O2 (C22 H19 FN4 O2)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(Cn2c(nccc3)c3nc2CNC(c(cccc2)c2F)=O)c1

InChI

InChI=1S/C22H19FN4O2/c1-29-16-7-4-6-15(12-16)14-27-20(26-19-10-5-11-24-21(19)27)13-25-22(28)17-8-2-3-9-18(17)23/h2-12H,13-14H2,1H3,(H,25,28)

InChI Key

KAOJFZRHUHVNPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27163854

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.695

Distribution Coefficient, logD

3.692

Water Solubility, LogSw

-3.99

Polar Surface Area

53.007

Acid Dissociation Constant (pKa)

9.62

Base Dissociation Constant (pKb)

3.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

G831-0231 in Drug Discovery

Included in Screening Libraries

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G831-0231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G831-0231?
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What is the minimum amount of G831-0231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G831-0231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G831-0231
  • 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 G831-0231 available by request