V013-0554 Screening compound: N-[3-tert-butyl-1-(2,5-dichlorophenyl)-1H-pyrazol-5-yl]-3-cyanobenzamide

V013-0554 Screening compound: N-[3-tert-butyl-1-(2,5-dichlorophenyl)-1H-pyrazol-5-yl]-3-cyanobenzamide
V013-0554 Screening compound: N-[3-tert-butyl-1-(2,5-dichlorophenyl)-1H-pyrazol-5-yl]-3-cyanobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-0554
N-[3-tert-butyl-1-(2,5-dichlorophenyl)-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

V013-0554

Molecular Formula

C21H18Cl2N4O (C21 H18 Cl2 N4 O)

Compound Name

N-[3-tert-butyl-1-(2,5-dichlorophenyl)-1H-pyrazol-5-yl]-3-cyanobenzamide

IUPAC name

N-[3-tert-butyl-1-(25-dichlorophenyl)-1H-pyrazol-5-yl]-3-cyanobenzamide

SMILES

CC(C)(C)c(cc1NC(c2cc(C#N)ccc2)=O)nn1-c(cc(cc1)Cl)c1Cl

InChI

InChI=1S/C21H18Cl2N4O/c1-21(2,3)18-11-19(25-20(28)14-6-4-5-13(9-14)12-24)27(26-18)17-10-15(22)7-8-16(17)23/h4-11H,1-3H3,(H,25,28)

InChI Key

SDLYXXGCOAGAJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10464512

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.31

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

5.610

Distribution Coefficient, logD

4.672

Water Solubility, LogSw

-6.01

Polar Surface Area

54.520

Acid Dissociation Constant (pKa)

6.52

Base Dissociation Constant (pKb)

-1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

V013-0554 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V013-0554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-0554?
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What is the minimum amount of V013-0554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-0554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-0554
  • 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 V013-0554 available by request