V013-1208 Screening compound: N-[3-tert-butyl-1-(2-chlorophenyl)-1H-pyrazol-5-yl]-3,4-difluorobenzamide

V013-1208 Screening compound: N-[3-tert-butyl-1-(2-chlorophenyl)-1H-pyrazol-5-yl]-3,4-difluorobenzamide
V013-1208 Screening compound: N-[3-tert-butyl-1-(2-chlorophenyl)-1H-pyrazol-5-yl]-3,4-difluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-1208
N-[3-tert-butyl-1-(2-chlorophenyl)-1H-pyrazol-5-yl]-3,4-difluorobenzamide

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

V013-1208

Molecular Formula

C20H18ClF2N3O (C20 H18 ClF2 N3 O)

Compound Name

N-[3-tert-butyl-1-(2-chlorophenyl)-1H-pyrazol-5-yl]-3,4-difluorobenzamide

IUPAC name

N-[3-tert-butyl-1-(2-chlorophenyl)-1H-pyrazol-5-yl]-34-difluorobenzamide

SMILES

CC(C)(C)c(cc1NC(c(cc2)cc(F)c2F)=O)nn1-c(cccc1)c1Cl

InChI

InChI=1S/C20H18ClF2N3O/c1-20(2,3)17-11-18(26(25-17)16-7-5-4-6-13(16)21)24-19(27)12-8-9-14(22)15(23)10-12/h4-11H,1-3H3,(H,24,27)

InChI Key

KZRLZNOVJHJOLM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10464498

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.83

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

5.733

Distribution Coefficient, logD

4.984

Water Solubility, LogSw

-5.95

Polar Surface Area

37.464

Acid Dissociation Constant (pKa)

6.74

Base Dissociation Constant (pKb)

-1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

V013-1208 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with V013-1208 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-1208?
Check Price and Availability of V013-1208, 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 V013-1208 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-1208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-1208
  • 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 V013-1208 available by request