V014-4590 Screening compound: N-[3-tert-butyl-1-(3-fluorophenyl)-1H-pyrazol-5-yl]-2-chloro-4-fluorobenzamide

V014-4590 Screening compound: N-[3-tert-butyl-1-(3-fluorophenyl)-1H-pyrazol-5-yl]-2-chloro-4-fluorobenzamide
V014-4590 Screening compound: N-[3-tert-butyl-1-(3-fluorophenyl)-1H-pyrazol-5-yl]-2-chloro-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-4590
N-[3-tert-butyl-1-(3-fluorophenyl)-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

V014-4590

Molecular Formula

C20H18ClF2N3O (C20 H18 ClF2 N3 O)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)c(cc1NC(c(ccc(F)c2)c2Cl)=O)nn1-c1cc(F)ccc1

InChI

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

InChI Key

XPLFFBZAERAFSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19950028

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

5.677

Distribution Coefficient, logD

4.860

Water Solubility, LogSw

-6.08

Polar Surface Area

37.765

Acid Dissociation Constant (pKa)

6.65

Base Dissociation Constant (pKb)

-2.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

V014-4590 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 V014-4590 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-4590?
Check Price and Availability of V014-4590, 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 V014-4590 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-4590
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-4590
  • 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 V014-4590 available by request