V031-2608 Screening compound: 4'-({[6-({4-[2-(2,5-dimethoxyphenyl)acetyl]piperazin-1-yl}methyl)-4-oxo-4H-pyran-3-yl]oxy}methyl)-[1,1'-biphenyl]-2-carbonitrile

V031-2608 Screening compound: 4'-({[6-({4-[2-(2,5-dimethoxyphenyl)acetyl]piperazin-1-yl}methyl)-4-oxo-4H-pyran-3-yl]oxy}methyl)-[1,1'-biphenyl]-2-carbonitrile
V031-2608 Screening compound: 4'-({[6-({4-[2-(2,5-dimethoxyphenyl)acetyl]piperazin-1-yl}methyl)-4-oxo-4H-pyran-3-yl]oxy}methyl)-[1,1'-biphenyl]-2-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-2608
4'-({[6-({4-[2-(2,5-dimethoxyphenyl)acetyl]piperazin-1-yl}methyl)-4-oxo-4H-pyran-3-yl]oxy}methyl)-[1,1'-biphenyl]-2-carbonitrile

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

V031-2608

Molecular Formula

C34H33N3O6 (C34 H33 N3 O6)

Compound Name

4'-({[6-({4-[2-(2,5-dimethoxyphenyl)acetyl]piperazin-1-yl}methyl)-4-oxo-4H-pyran-3-yl]oxy}methyl)-[1,1'-biphenyl]-2-carbonitrile

IUPAC name

4'-({[6-({4-[2-(25-dimethoxyphenyl)acetyl]piperazin-1-yl}methyl)-4-oxo-4H-pyran-3-yl]oxy}methyl)-[11'-biphenyl]-2-carbonitrile

SMILES

COc(cc1)cc(CC(N2CCN(CC(OC=C3OCc(cc4)ccc4-c(cccc4)c4C#N)=CC3=O)CC2)=O)c1OC

InChI

InChI=1S/C34H33N3O6/c1-40-28-11-12-32(41-2)27(17-28)18-34(39)37-15-13-36(14-16-37)21-29-19-31(38)33(23-42-29)43-22-24-7-9-25(10-8-24)30-6-4-3-5-26(30)20-35/h3-12,17,19,23H,13-16,18,21-22H2,1-2H3

InChI Key

JYZYGCKGQAHMNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19945896

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

579.65

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.772

Distribution Coefficient, logD

3.771

Water Solubility, LogSw

-4.02

Polar Surface Area

81.771

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

4.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.50

V031-2608 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with V031-2608 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-2608?
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What is the minimum amount of V031-2608 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-2608
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-2608
  • 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 V031-2608 available by request