V014-8220 Screening compound: 2-(4-benzylpiperazin-1-yl)-N-cyclohexyl-5-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)benzamide

V014-8220 Screening compound: 2-(4-benzylpiperazin-1-yl)-N-cyclohexyl-5-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)benzamide
V014-8220 Screening compound: 2-(4-benzylpiperazin-1-yl)-N-cyclohexyl-5-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-8220
2-(4-benzylpiperazin-1-yl)-N-cyclohexyl-5-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)benzamide

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

V014-8220

Molecular Formula

C32H36F3N5O2 (C32 H36 F3 N5 O2)

Compound Name

2-(4-benzylpiperazin-1-yl)-N-cyclohexyl-5-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)benzamide

IUPAC name

2-(4-benzylpiperazin-1-yl)-N-cyclohexyl-5-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)benzamide

SMILES

O=C(c(cc(cc1)NC(Nc2cccc(C(F)(F)F)c2)=O)c1N1CCN(Cc2ccccc2)CC1)NC1CCCCC1

InChI

InChI=1S/C32H36F3N5O2/c33-32(34,35)24-10-7-13-26(20-24)37-31(42)38-27-14-15-29(28(21-27)30(41)36-25-11-5-2-6-12-25)40-18-16-39(17-19-40)22-23-8-3-1-4-9-23/h1,3-4,7-10,13-15,20-21,25H,2,5-6,11-12,16-19,22H2,(H,36,41)(H2,37,38,42)

InChI Key

DNMJAOHFVPNVMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14239754

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

579.67

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.412

Distribution Coefficient, logD

7.267

Water Solubility, LogSw

-6.22

Polar Surface Area

63.372

Acid Dissociation Constant (pKa)

11.09

Base Dissociation Constant (pKb)

7.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

V014-8220 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anticancer Library (62698 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with V014-8220 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-8220?
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What is the minimum amount of V014-8220 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-8220
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-8220
  • 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 V014-8220 available by request