V013-7490 Screening compound: 4-{[1-(3-methoxyphenyl)-2-[4-(2-phenylbutanoyl)piperazin-1-yl]ethoxy]methyl}benzonitrile

V013-7490 Screening compound: 4-{[1-(3-methoxyphenyl)-2-[4-(2-phenylbutanoyl)piperazin-1-yl]ethoxy]methyl}benzonitrile
V013-7490 Screening compound: 4-{[1-(3-methoxyphenyl)-2-[4-(2-phenylbutanoyl)piperazin-1-yl]ethoxy]methyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-7490
4-{[1-(3-methoxyphenyl)-2-[4-(2-phenylbutanoyl)piperazin-1-yl]ethoxy]methyl}benzonitrile

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

V013-7490

Molecular Formula

C31H35N3O3 (C31 H35 N3 O3)

Compound Name

4-{[1-(3-methoxyphenyl)-2-[4-(2-phenylbutanoyl)piperazin-1-yl]ethoxy]methyl}benzonitrile

IUPAC name

4-{[1-(3-methoxyphenyl)-2-[4-(2-phenylbutanoyl)piperazin-1-yl]ethoxy]methyl}benzonitrile

SMILES

CCC(C(N1CCN(CC(c2cc(OC)ccc2)OCc(cc2)ccc2C#N)CC1)=O)c1ccccc1

InChI

InChI=1S/C31H35N3O3/c1-3-29(26-8-5-4-6-9-26)31(35)34-18-16-33(17-19-34)22-30(27-10-7-11-28(20-27)36-2)37-23-25-14-12-24(21-32)13-15-25/h4-15,20,29-30H,3,16-19,22-23H2,1-2H3

InChI Key

IRSFRLSDZPUGMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19954662

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

497.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.778

Distribution Coefficient, logD

4.773

Water Solubility, LogSw

-4.65

Polar Surface Area

51.908

Acid Dissociation Constant (pKa)

18.74

Base Dissociation Constant (pKb)

5.44

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.50

V013-7490 in Drug Discovery

Included in Screening Libraries

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 V013-7490 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-7490?
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What is the minimum amount of V013-7490 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-7490
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-7490
  • 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 V013-7490 available by request