V010-3322 Screening compound: N-[3-tert-butyl-1-(4-cyanophenyl)-1H-pyrazol-5-yl]-3-(trifluoromethyl)benzamide

V010-3322 Screening compound: N-[3-tert-butyl-1-(4-cyanophenyl)-1H-pyrazol-5-yl]-3-(trifluoromethyl)benzamide
V010-3322 Screening compound: N-[3-tert-butyl-1-(4-cyanophenyl)-1H-pyrazol-5-yl]-3-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-3322
N-[3-tert-butyl-1-(4-cyanophenyl)-1H-pyrazol-5-yl]-3-(trifluoromethyl)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

V010-3322

Molecular Formula

C22H19F3N4O (C22 H19 F3 N4 O)

Compound Name

N-[3-tert-butyl-1-(4-cyanophenyl)-1H-pyrazol-5-yl]-3-(trifluoromethyl)benzamide

IUPAC name

N-[3-tert-butyl-1-(4-cyanophenyl)-1H-pyrazol-5-yl]-3-(trifluoromethyl)benzamide

SMILES

CC(C)(C)c(cc1NC(c2cccc(C(F)(F)F)c2)=O)nn1-c(cc1)ccc1C#N

InChI

InChI=1S/C22H19F3N4O/c1-21(2,3)18-12-19(29(28-18)17-9-7-14(13-26)8-10-17)27-20(30)15-5-4-6-16(11-15)22(23,24)25/h4-12H,1-3H3,(H,27,30)

InChI Key

CQFHFFTXYZPKBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19949806

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.398

Distribution Coefficient, logD

5.385

Water Solubility, LogSw

-5.63

Polar Surface Area

54.821

Acid Dissociation Constant (pKa)

8.94

Base Dissociation Constant (pKb)

-1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

V010-3322 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 V010-3322 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-3322?
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What is the minimum amount of V010-3322 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-3322
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-3322
  • 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 V010-3322 available by request