E136-1316 Screening compound: N-(3-chloro-4-methoxyphenyl)-1,3-diphenyl-1H-pyrazole-4-carboxamide

E136-1316 Screening compound: N-(3-chloro-4-methoxyphenyl)-1,3-diphenyl-1H-pyrazole-4-carboxamide
E136-1316 Screening compound: N-(3-chloro-4-methoxyphenyl)-1,3-diphenyl-1H-pyrazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E136-1316
N-(3-chloro-4-methoxyphenyl)-1,3-diphenyl-1H-pyrazole-4-carboxamide

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

E136-1316

Molecular Formula

C23H18ClN3O2 (C23 H18 ClN3 O2)

Compound Name

N-(3-chloro-4-methoxyphenyl)-1,3-diphenyl-1H-pyrazole-4-carboxamide

IUPAC name

N-(3-chloro-4-methoxyphenyl)-13-diphenyl-1H-pyrazole-4-carboxamide

SMILES

COc(ccc(NC(c1cn(-c2ccccc2)nc1-c1ccccc1)=O)c1)c1Cl

InChI

InChI=1S/C23H18ClN3O2/c1-29-21-13-12-17(14-20(21)24)25-23(28)19-15-27(18-10-6-3-7-11-18)26-22(19)16-8-4-2-5-9-16/h2-15H,1H3,(H,25,28)

InChI Key

PEGGMNHZSITXGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04729607

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.87

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.010

Distribution Coefficient, logD

5.010

Water Solubility, LogSw

-5.14

Polar Surface Area

45.593

Acid Dissociation Constant (pKa)

10.78

Base Dissociation Constant (pKb)

-3.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

E136-1316 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Proline Kinase Library (2105 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E136-1316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E136-1316?
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What is the minimum amount of E136-1316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E136-1316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E136-1316
  • 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 E136-1316 available by request