G831-0327 Screening compound: N-{[3-(4-fluorobenzyl)-3H-imidazo[4,5-b]pyridin-2-yl]methyl}-2-methoxyacetamide

G831-0327 Screening compound: N-{[3-(4-fluorobenzyl)-3H-imidazo[4,5-b]pyridin-2-yl]methyl}-2-methoxyacetamide
G831-0327 Screening compound: N-{[3-(4-fluorobenzyl)-3H-imidazo[4,5-b]pyridin-2-yl]methyl}-2-methoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G831-0327
N-{[3-(4-fluorobenzyl)-3H-imidazo[4,5-b]pyridin-2-yl]methyl}-2-methoxyacetamide

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

G831-0327

Molecular Formula

C17H17FN4O2 (C17 H17 FN4 O2)

Compound Name

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

IUPAC name

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

SMILES

COCC(NCc1nc2cccnc2n1Cc(cc1)ccc1F)=O

InChI

InChI=1S/C17H17FN4O2/c1-24-11-16(23)20-9-15-21-14-3-2-8-19-17(14)22(15)10-12-4-6-13(18)7-5-12/h2-8H,9-11H2,1H3,(H,20,23)

InChI Key

IOUPPEURRSZVKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27163928

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.35

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

1.575

Distribution Coefficient, logD

1.575

Water Solubility, LogSw

-2.08

Polar Surface Area

53.945

Acid Dissociation Constant (pKa)

12.12

Base Dissociation Constant (pKb)

3.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.53

G831-0327 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G831-0327 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G831-0327?
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What is the minimum amount of G831-0327 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G831-0327
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G831-0327
  • 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 G831-0327 available by request