V016-6498 Screening compound: N-(cyclopropylmethyl)-2-(3-{[2-(trifluoromethyl)phenyl]methoxy}phenyl)-1,3-thiazole-4-carboxamide

V016-6498 Screening compound: N-(cyclopropylmethyl)-2-(3-{[2-(trifluoromethyl)phenyl]methoxy}phenyl)-1,3-thiazole-4-carboxamide
V016-6498 Screening compound: N-(cyclopropylmethyl)-2-(3-{[2-(trifluoromethyl)phenyl]methoxy}phenyl)-1,3-thiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-6498
N-(cyclopropylmethyl)-2-(3-{[2-(trifluoromethyl)phenyl]methoxy}phenyl)-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

V016-6498

Molecular Formula

C22H19F3N2O2S (C22 H19 F3 N2 O2 S)

Compound Name

N-(cyclopropylmethyl)-2-(3-{[2-(trifluoromethyl)phenyl]methoxy}phenyl)-1,3-thiazole-4-carboxamide

IUPAC name

N-(cyclopropylmethyl)-2-(3-{[2-(trifluoromethyl)phenyl]methoxy}phenyl)-13-thiazole-4-carboxamide

SMILES

O=C(c1csc(-c2cc(OCc3c(C(F)(F)F)cccc3)ccc2)n1)NCC1CC1

InChI

InChI=1S/C22H19F3N2O2S/c23-22(24,25)18-7-2-1-4-16(18)12-29-17-6-3-5-15(10-17)21-27-19(13-30-21)20(28)26-11-14-8-9-14/h1-7,10,13-14H,8-9,11-12H2,(H,26,28)

InChI Key

BIHVVBMYJJKFHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19927848

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.563

Distribution Coefficient, logD

5.563

Water Solubility, LogSw

-5.92

Polar Surface Area

42.136

Acid Dissociation Constant (pKa)

15.94

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

V016-6498 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V016-6498 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-6498?
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What is the minimum amount of V016-6498 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-6498
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-6498
  • 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 V016-6498 available by request