V016-7547 Screening compound: 1-(prop-2-en-1-yl)-4-[2-(4-{[3-(trifluoromethyl)phenyl]methoxy}phenyl)-1,3-thiazole-4-carbonyl]piperazine

V016-7547 Screening compound: 1-(prop-2-en-1-yl)-4-[2-(4-{[3-(trifluoromethyl)phenyl]methoxy}phenyl)-1,3-thiazole-4-carbonyl]piperazine
V016-7547 Screening compound: 1-(prop-2-en-1-yl)-4-[2-(4-{[3-(trifluoromethyl)phenyl]methoxy}phenyl)-1,3-thiazole-4-carbonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-7547
1-(prop-2-en-1-yl)-4-[2-(4-{[3-(trifluoromethyl)phenyl]methoxy}phenyl)-1,3-thiazole-4-carbonyl]piperazine

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

V016-7547

Molecular Formula

C25H24F3N3O2S (C25 H24 F3 N3 O2 S)

Compound Name

1-(prop-2-en-1-yl)-4-[2-(4-{[3-(trifluoromethyl)phenyl]methoxy}phenyl)-1,3-thiazole-4-carbonyl]piperazine

IUPAC name

1-(prop-2-en-1-yl)-4-[2-(4-{[3-(trifluoromethyl)phenyl]methoxy}phenyl)-13-thiazole-4-carbonyl]piperazine

SMILES

C=CCN(CC1)CCN1C(c1csc(-c(cc2)ccc2OCc2cc(C(F)(F)F)ccc2)n1)=O

InChI

InChI=1S/C25H24F3N3O2S/c1-2-10-30-11-13-31(14-12-30)24(32)22-17-34-23(29-22)19-6-8-21(9-7-19)33-16-18-4-3-5-20(15-18)25(26,27)28/h2-9,15,17H,1,10-14,16H2

InChI Key

GVEXGFBWXPRTTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19927627

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

487.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.188

Distribution Coefficient, logD

5.147

Water Solubility, LogSw

-5.61

Polar Surface Area

37.639

Acid Dissociation Constant (pKa)

28.88

Base Dissociation Constant (pKb)

6.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

V016-7547 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 V016-7547 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-7547?
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What is the minimum amount of V016-7547 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-7547
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-7547
  • 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 V016-7547 available by request