G812-1986 Screening compound: N-[2-(4-chlorophenyl)ethyl]-4-{3-[(4-methylphenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}butanamide

G812-1986 Screening compound: N-[2-(4-chlorophenyl)ethyl]-4-{3-[(4-methylphenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}butanamide
G812-1986 Screening compound: N-[2-(4-chlorophenyl)ethyl]-4-{3-[(4-methylphenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G812-1986
N-[2-(4-chlorophenyl)ethyl]-4-{3-[(4-methylphenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}butanamide

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

G812-1986

Molecular Formula

C26H27ClN4O (C26 H27 ClN4 O)

Compound Name

N-[2-(4-chlorophenyl)ethyl]-4-{3-[(4-methylphenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}butanamide

IUPAC name

N-[2-(4-chlorophenyl)ethyl]-4-{3-[(4-methylphenyl)methyl]-3H-imidazo[45-b]pyridin-2-yl}butanamide

SMILES

Cc1ccc(Cn2c(nccc3)c3nc2CCCC(NCCc(cc2)ccc2Cl)=O)cc1

InChI

InChI=1S/C26H27ClN4O/c1-19-7-9-21(10-8-19)18-31-24(30-23-4-3-16-29-26(23)31)5-2-6-25(32)28-17-15-20-11-13-22(27)14-12-20/h3-4,7-14,16H,2,5-6,15,17-18H2,1H3,(H,28,32)

InChI Key

CMIYHQPXUZXJML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15038506

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.98

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.282

Distribution Coefficient, logD

4.282

Water Solubility, LogSw

-4.52

Polar Surface Area

45.091

Acid Dissociation Constant (pKa)

14.38

Base Dissociation Constant (pKb)

4.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

G812-1986 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with G812-1986 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G812-1986?
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What is the minimum amount of G812-1986 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G812-1986
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G812-1986
  • 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 G812-1986 available by request