V010-2139 Screening compound: N-[3-tert-butyl-1-(2,5-dichlorophenyl)-1H-pyrazol-5-yl]-3-methylbenzamide

V010-2139 Screening compound: N-[3-tert-butyl-1-(2,5-dichlorophenyl)-1H-pyrazol-5-yl]-3-methylbenzamide
V010-2139 Screening compound: N-[3-tert-butyl-1-(2,5-dichlorophenyl)-1H-pyrazol-5-yl]-3-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-2139
N-[3-tert-butyl-1-(2,5-dichlorophenyl)-1H-pyrazol-5-yl]-3-methylbenzamide

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

V010-2139

Molecular Formula

C21H21Cl2N3O (C21 H21 Cl2 N3 O)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H21Cl2N3O/c1-13-6-5-7-14(10-13)20(27)24-19-12-18(21(2,3)4)25-26(19)17-11-15(22)8-9-16(17)23/h5-12H,1-4H3,(H,24,27)

InChI Key

VWIOVAXCRBVEJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19949921

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.32

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

6.360

Distribution Coefficient, logD

5.881

Water Solubility, LogSw

-6.28

Polar Surface Area

37.464

Acid Dissociation Constant (pKa)

7.10

Base Dissociation Constant (pKb)

-1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

V010-2139 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 V010-2139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-2139?
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What is the minimum amount of V010-2139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-2139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-2139
  • 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 V010-2139 available by request