V007-6073 Screening compound: 2-(4-{2-[(2-fluorophenyl)amino]-1,3-thiazole-4-carbonyl}piperazin-1-yl)-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one

V007-6073 Screening compound: 2-(4-{2-[(2-fluorophenyl)amino]-1,3-thiazole-4-carbonyl}piperazin-1-yl)-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one
V007-6073 Screening compound: 2-(4-{2-[(2-fluorophenyl)amino]-1,3-thiazole-4-carbonyl}piperazin-1-yl)-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-6073
2-(4-{2-[(2-fluorophenyl)amino]-1,3-thiazole-4-carbonyl}piperazin-1-yl)-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one

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

V007-6073

Molecular Formula

C27H28F4N6O2S (C27 H28 F4 N6 O2 S)

Compound Name

2-(4-{2-[(2-fluorophenyl)amino]-1,3-thiazole-4-carbonyl}piperazin-1-yl)-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one

IUPAC name

2-(4-{2-[(2-fluorophenyl)amino]-13-thiazole-4-carbonyl}piperazin-1-yl)-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one

SMILES

O=C(CN(CC1)CCN1C(c1csc(Nc(cccc2)c2F)n1)=O)N(CC1)CCN1c1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C27H28F4N6O2S/c28-21-6-1-2-7-22(21)32-26-33-23(18-40-26)25(39)37-10-8-34(9-11-37)17-24(38)36-14-12-35(13-15-36)20-5-3-4-19(16-20)27(29,30)31/h1-7,16,18H,8-15,17H2,(H,32,33)

InChI Key

FKKOUKJHFNCFCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19940577

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

576.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.081

Distribution Coefficient, logD

4.081

Water Solubility, LogSw

-4.21

Polar Surface Area

58.341

Acid Dissociation Constant (pKa)

16.83

Base Dissociation Constant (pKb)

4.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

V007-6073 in Drug Discovery

Included in Screening Libraries

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with V007-6073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-6073?
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What is the minimum amount of V007-6073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-6073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-6073
  • 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 V007-6073 available by request