V013-4072 Screening compound: 2-(3,5-DIFLUOROBENZAMIDO)-N-{[3-(TRIFLUOROMETHYL)PHENYL]METHYL}-1,3-THIAZOLE-4-CARBOXAMIDE

V013-4072 Screening compound: 2-(3,5-DIFLUOROBENZAMIDO)-N-{[3-(TRIFLUOROMETHYL)PHENYL]METHYL}-1,3-THIAZOLE-4-CARBOXAMIDE
V013-4072 Screening compound: 2-(3,5-DIFLUOROBENZAMIDO)-N-{[3-(TRIFLUOROMETHYL)PHENYL]METHYL}-1,3-THIAZOLE-4-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-4072
2-(3,5-DIFLUOROBENZAMIDO)-N-{[3-(TRIFLUOROMETHYL)PHENYL]METHYL}-1,3-THIAZOLE-4-CARBOXAMIDE

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

V013-4072

Molecular Formula

C19H12F5N3O2S (C19 H12 F5 N3 O2 S)

Compound Name

2-(3,5-DIFLUOROBENZAMIDO)-N-{[3-(TRIFLUOROMETHYL)PHENYL]METHYL}-1,3-THIAZOLE-4-CARBOXAMIDE

IUPAC name

n/a

SMILES

O=C(c1csc(NC(c2cc(F)cc(F)c2)=O)n1)NCc1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C19H12F5N3O2S/c20-13-5-11(6-14(21)7-13)16(28)27-18-26-15(9-30-18)17(29)25-8-10-2-1-3-12(4-10)19(22,23)24/h1-7,9H,8H2,(H,25,29)(H,26,27,28)

InChI Key

SKBYEJMMKPUTPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19976350

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

441.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.926

Distribution Coefficient, logD

3.292

Water Solubility, LogSw

-4.97

Polar Surface Area

57.789

Acid Dissociation Constant (pKa)

5.78

Base Dissociation Constant (pKb)

-4.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

V013-4072 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 V013-4072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-4072?
Check Price and Availability of V013-4072, 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 V013-4072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-4072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-4072
  • 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 V013-4072 available by request