V006-2737 Screening compound: 4'-{[(6-{[4-(2,6-difluorobenzenesulfonyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}-[1,1'-biphenyl]-2-carbonitrile

V006-2737 Screening compound: 4'-{[(6-{[4-(2,6-difluorobenzenesulfonyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}-[1,1'-biphenyl]-2-carbonitrile
V006-2737 Screening compound: 4'-{[(6-{[4-(2,6-difluorobenzenesulfonyl)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 V006-2737
4'-{[(6-{[4-(2,6-difluorobenzenesulfonyl)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

V006-2737

Molecular Formula

C30H25F2N3O5S (C30 H25 F2 N3 O5 S)

Compound Name

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

IUPAC name

4'-{[(6-{[4-(26-difluorobenzenesulfonyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}-[11'-biphenyl]-2-carbonitrile

SMILES

N#Cc(cccc1)c1-c1ccc(COC2=COC(CN(CC3)CCN3S(c(c(F)ccc3)c3F)(=O)=O)=CC2=O)cc1

InChI

InChI=1S/C30H25F2N3O5S/c31-26-6-3-7-27(32)30(26)41(37,38)35-14-12-34(13-15-35)18-24-16-28(36)29(20-39-24)40-19-21-8-10-22(11-9-21)25-5-2-1-4-23(25)17-33/h1-11,16,20H,12-15,18-19H2

InChI Key

WMESHCAQZVGRFT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19945996

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

577.61

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.631

Distribution Coefficient, logD

3.631

Water Solubility, LogSw

-3.95

Polar Surface Area

82.187

Acid Dissociation Constant (pKa)

28.13

Base Dissociation Constant (pKb)

3.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

V006-2737 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V006-2737 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-2737?
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What is the minimum amount of V006-2737 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-2737
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-2737
  • 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 V006-2737 available by request