V014-4614 Screening compound: N~1~-[3-(tert-butyl)-1-(2,5-dichlorophenyl)-1H-pyrazol-5-yl]-2-chloro-4-fluorobenzamide

V014-4614 Screening compound: N~1~-[3-(tert-butyl)-1-(2,5-dichlorophenyl)-1H-pyrazol-5-yl]-2-chloro-4-fluorobenzamide
V014-4614 Screening compound: N~1~-[3-(tert-butyl)-1-(2,5-dichlorophenyl)-1H-pyrazol-5-yl]-2-chloro-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-4614
N~1~-[3-(tert-butyl)-1-(2,5-dichlorophenyl)-1H-pyrazol-5-yl]-2-chloro-4-fluorobenzamide

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

V014-4614

Molecular Formula

C20H17Cl3FN3O (C20 H17 Cl3 FN3 O)

Compound Name

N~1~-[3-(tert-butyl)-1-(2,5-dichlorophenyl)-1H-pyrazol-5-yl]-2-chloro-4-fluorobenzamide

IUPAC name

N-[3-tert-butyl-1-(25-dichlorophenyl)-1H-pyrazol-5-yl]-2-chloro-4-fluorobenzamide

SMILES

CC(C)(C)c(cc1NC(c(ccc(F)c2)c2Cl)=O)nn1-c(cc(cc1)Cl)c1Cl

InChI

InChI=1S/C20H17Cl3FN3O/c1-20(2,3)17-10-18(25-19(28)13-6-5-12(24)9-15(13)23)27(26-17)16-8-11(21)4-7-14(16)22/h4-10H,1-3H3,(H,25,28)

InChI Key

AGWYSPOLDHKQBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19950047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.73

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

6.655

Distribution Coefficient, logD

5.002

Water Solubility, LogSw

-6.37

Polar Surface Area

37.464

Acid Dissociation Constant (pKa)

5.76

Base Dissociation Constant (pKb)

-1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

V014-4614 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 V014-4614 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-4614?
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What is the minimum amount of V014-4614 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-4614
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-4614
  • 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 V014-4614 available by request