V012-9971 Screening compound: N-{3-(2-furyl)-1-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}benzamide

V012-9971 Screening compound: N-{3-(2-furyl)-1-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}benzamide
V012-9971 Screening compound: N-{3-(2-furyl)-1-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-9971
N-{3-(2-furyl)-1-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}benzamide

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

V012-9971

Molecular Formula

C21H14F3N3O2 (C21 H14 F3 N3 O2)

Compound Name

N-{3-(2-furyl)-1-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}benzamide

IUPAC name

N-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]benzamide

SMILES

O=C(c1ccccc1)Nc1cc(-c2ccco2)nn1-c1ccc(C(F)(F)F)cc1

InChI

InChI=1S/C21H14F3N3O2/c22-21(23,24)15-8-10-16(11-9-15)27-19(13-17(26-27)18-7-4-12-29-18)25-20(28)14-5-2-1-3-6-14/h1-13H,(H,25,28)

InChI Key

LWGMRWUWFRAYKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19943572

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.36

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

5.037

Distribution Coefficient, logD

5.037

Water Solubility, LogSw

-5.07

Polar Surface Area

46.071

Acid Dissociation Constant (pKa)

11.95

Base Dissociation Constant (pKb)

-4.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.76

V012-9971 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 compounds)

GPCR Targeted Library (31838 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V012-9971 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-9971?
Check Price and Availability of V012-9971, 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 V012-9971 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-9971
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-9971
  • 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 V012-9971 available by request