V014-8661 Screening compound: 2-(4-chlorophenoxy)-N-[6-(4-{[3-(trifluoromethyl)phenyl]methyl}piperazin-1-yl)pyridin-3-yl]acetamide

V014-8661 Screening compound: 2-(4-chlorophenoxy)-N-[6-(4-{[3-(trifluoromethyl)phenyl]methyl}piperazin-1-yl)pyridin-3-yl]acetamide
V014-8661 Screening compound: 2-(4-chlorophenoxy)-N-[6-(4-{[3-(trifluoromethyl)phenyl]methyl}piperazin-1-yl)pyridin-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-8661
2-(4-chlorophenoxy)-N-[6-(4-{[3-(trifluoromethyl)phenyl]methyl}piperazin-1-yl)pyridin-3-yl]acetamide

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

V014-8661

Molecular Formula

C25H24ClF3N4O2 (C25 H24 ClF3 N4 O2)

Compound Name

2-(4-chlorophenoxy)-N-[6-(4-{[3-(trifluoromethyl)phenyl]methyl}piperazin-1-yl)pyridin-3-yl]acetamide

IUPAC name

2-(4-chlorophenoxy)-N-[6-(4-{[3-(trifluoromethyl)phenyl]methyl}piperazin-1-yl)pyridin-3-yl]acetamide

SMILES

O=C(COc(cc1)ccc1Cl)Nc(cc1)cnc1N1CCN(Cc2cc(C(F)(F)F)ccc2)CC1

InChI

InChI=1S/C25H24ClF3N4O2/c26-20-4-7-22(8-5-20)35-17-24(34)31-21-6-9-23(30-15-21)33-12-10-32(11-13-33)16-18-2-1-3-19(14-18)25(27,28)29/h1-9,14-15H,10-13,16-17H2,(H,31,34)

InChI Key

XWSDTUXBABDLSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19911966

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

504.94

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.582

Distribution Coefficient, logD

5.568

Water Solubility, LogSw

-6.21

Polar Surface Area

46.209

Acid Dissociation Constant (pKa)

12.08

Base Dissociation Constant (pKb)

5.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

V014-8661 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V014-8661 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-8661?
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What is the minimum amount of V014-8661 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-8661
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-8661
  • 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 V014-8661 available by request