V012-4042 Screening compound: N-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3,4-dichlorobenzamide

V012-4042 Screening compound: N-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3,4-dichlorobenzamide
V012-4042 Screening compound: N-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3,4-dichlorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-4042
N-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3,4-dichlorobenzamide

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

V012-4042

Molecular Formula

C20H19Cl2N3O (C20 H19 Cl2 N3 O)

Compound Name

N-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3,4-dichlorobenzamide

IUPAC name

N-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-34-dichlorobenzamide

SMILES

CC(C)(C)c(cc1NC(c(cc2)cc(Cl)c2Cl)=O)nn1-c1ccccc1

InChI

InChI=1S/C20H19Cl2N3O/c1-20(2,3)17-12-18(25(24-17)14-7-5-4-6-8-14)23-19(26)13-9-10-15(21)16(22)11-13/h4-12H,1-3H3,(H,23,26)

InChI Key

PDIYANDYBTZKLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19715650

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.3

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

6.102

Distribution Coefficient, logD

5.903

Water Solubility, LogSw

-6.20

Polar Surface Area

37.765

Acid Dissociation Constant (pKa)

7.64

Base Dissociation Constant (pKb)

-1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

V012-4042 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 V012-4042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-4042?
Check Price and Availability of V012-4042, 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 V012-4042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-4042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-4042
  • 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 V012-4042 available by request