V014-4625 Screening compound: N-[1-(4-bromophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide

V014-4625 Screening compound: N-[1-(4-bromophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide
V014-4625 Screening compound: N-[1-(4-bromophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-4625
N-[1-(4-bromophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-fluoro-5-(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

V014-4625

Molecular Formula

C21H18BrF4N3O (C21 H18 BrF4 N3 O)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)c(cc1NC(c2cc(F)cc(C(F)(F)F)c2)=O)nn1-c(cc1)ccc1Br

InChI

InChI=1S/C21H18BrF4N3O/c1-20(2,3)17-11-18(29(28-17)16-6-4-14(22)5-7-16)27-19(30)12-8-13(21(24,25)26)10-15(23)9-12/h4-11H,1-3H3,(H,27,30)

InChI Key

XALJREMYPWLISI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19949995

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.29

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.969

Distribution Coefficient, logD

6.879

Water Solubility, LogSw

-5.75

Polar Surface Area

37.765

Acid Dissociation Constant (pKa)

8.04

Base Dissociation Constant (pKb)

-1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

V014-4625 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 V014-4625 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-4625?
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What is the minimum amount of V014-4625 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-4625
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-4625
  • 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 V014-4625 available by request