D491-9610 Screening compound: 2-chloro-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-5-yl}benzamide

D491-9610 Screening compound: 2-chloro-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-5-yl}benzamide
D491-9610 Screening compound: 2-chloro-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-5-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-9610
2-chloro-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-5-yl}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

D491-9610

Molecular Formula

C18H16ClN3O (C18 H16 ClN3 O)

Compound Name

2-chloro-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-5-yl}benzamide

IUPAC name

2-chloro-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-5-yl}benzamide

SMILES

Cc1ccc(Cn2nccc2NC(c(cccc2)c2Cl)=O)cc1

InChI

InChI=1S/C18H16ClN3O/c1-13-6-8-14(9-7-13)12-22-17(10-11-20-22)21-18(23)15-4-2-3-5-16(15)19/h2-11H,12H2,1H3,(H,21,23)

InChI Key

BJULRRLMISWIIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18077654

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.8

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.885

Distribution Coefficient, logD

3.883

Water Solubility, LogSw

-4.22

Polar Surface Area

37.763

Acid Dissociation Constant (pKa)

9.73

Base Dissociation Constant (pKb)

-2.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

D491-9610 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D491-9610 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-9610?
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What is the minimum amount of D491-9610 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-9610
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-9610
  • 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 D491-9610 available by request