V018-1013 Screening compound: N-[1-(2-chlorophenyl)-3-phenyl-1H-pyrazol-5-yl]-3-cyanobenzamide

V018-1013 Screening compound: N-[1-(2-chlorophenyl)-3-phenyl-1H-pyrazol-5-yl]-3-cyanobenzamide
V018-1013 Screening compound: N-[1-(2-chlorophenyl)-3-phenyl-1H-pyrazol-5-yl]-3-cyanobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-1013
N-[1-(2-chlorophenyl)-3-phenyl-1H-pyrazol-5-yl]-3-cyanobenzamide

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

V018-1013

Molecular Formula

C23H15ClN4O (C23 H15 ClN4 O)

Compound Name

N-[1-(2-chlorophenyl)-3-phenyl-1H-pyrazol-5-yl]-3-cyanobenzamide

IUPAC name

N-[1-(2-chlorophenyl)-3-phenyl-1H-pyrazol-5-yl]-3-cyanobenzamide

SMILES

N#Cc1cccc(C(Nc2cc(-c3ccccc3)nn2-c(cccc2)c2Cl)=O)c1

InChI

InChI=1S/C23H15ClN4O/c24-19-11-4-5-12-21(19)28-22(14-20(27-28)17-8-2-1-3-9-17)26-23(29)18-10-6-7-16(13-18)15-25/h1-14H,(H,26,29)

InChI Key

GXWWQPIHQKHAFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19950192

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.85

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

5.276

Distribution Coefficient, logD

5.275

Water Solubility, LogSw

-6.01

Polar Surface Area

54.248

Acid Dissociation Constant (pKa)

9.98

Base Dissociation Constant (pKb)

-4.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

V018-1013 in Drug Discovery

Included in Screening Libraries

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

Therapeutical Diversity Annotated Library (7563 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V018-1013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-1013?
Check Price and Availability of V018-1013, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V018-1013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-1013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-1013
  • 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 V018-1013 available by request