P072-1616 Screening compound: N-[(3-chlorophenyl)methyl]-2-{3-cyclohexyl-2-oxo-1H,2H,3H-imidazo[4,5-b]pyridin-1-yl}acetamide

P072-1616 Screening compound: N-[(3-chlorophenyl)methyl]-2-{3-cyclohexyl-2-oxo-1H,2H,3H-imidazo[4,5-b]pyridin-1-yl}acetamide
P072-1616 Screening compound: N-[(3-chlorophenyl)methyl]-2-{3-cyclohexyl-2-oxo-1H,2H,3H-imidazo[4,5-b]pyridin-1-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P072-1616
N-[(3-chlorophenyl)methyl]-2-{3-cyclohexyl-2-oxo-1H,2H,3H-imidazo[4,5-b]pyridin-1-yl}acetamide

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

P072-1616

Molecular Formula

C21H23ClN4O2 (C21 H23 ClN4 O2)

Compound Name

N-[(3-chlorophenyl)methyl]-2-{3-cyclohexyl-2-oxo-1H,2H,3H-imidazo[4,5-b]pyridin-1-yl}acetamide

IUPAC name

N-[(3-chlorophenyl)methyl]-2-{3-cyclohexyl-2-oxo-1H2H3H-imidazo[45-b]pyridin-1-yl}acetamide

SMILES

O=C(CN(c1c(N2C3CCCCC3)nccc1)C2=O)NCc1cccc(Cl)c1

InChI

InChI=1S/C21H23ClN4O2/c22-16-7-4-6-15(12-16)13-24-19(27)14-25-18-10-5-11-23-20(18)26(21(25)28)17-8-2-1-3-9-17/h4-7,10-12,17H,1-3,8-9,13-14H2,(H,24,27)

InChI Key

SJAQYTGFXZCWSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27562264

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.120

Distribution Coefficient, logD

4.120

Water Solubility, LogSw

-4.39

Polar Surface Area

51.872

Acid Dissociation Constant (pKa)

13.31

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

P072-1616 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P072-1616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P072-1616?
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What is the minimum amount of P072-1616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P072-1616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P072-1616
  • 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 P072-1616 available by request