V008-5265 Screening compound: 4'-{[(6-{[4-(2,3-difluoro-4-methylbenzoyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}-[1,1'-biphenyl]-2-carbonitrile

V008-5265 Screening compound: 4'-{[(6-{[4-(2,3-difluoro-4-methylbenzoyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}-[1,1'-biphenyl]-2-carbonitrile
V008-5265 Screening compound: 4'-{[(6-{[4-(2,3-difluoro-4-methylbenzoyl)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 V008-5265
4'-{[(6-{[4-(2,3-difluoro-4-methylbenzoyl)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

V008-5265

Molecular Formula

C32H27F2N3O4 (C32 H27 F2 N3 O4)

Compound Name

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

IUPAC name

4'-{[(6-{[4-(23-difluoro-4-methylbenzoyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}-[11'-biphenyl]-2-carbonitrile

SMILES

Cc1ccc(C(N2CCN(CC(OC=C3OCc(cc4)ccc4-c(cccc4)c4C#N)=CC3=O)CC2)=O)c(F)c1F

InChI

InChI=1S/C32H27F2N3O4/c1-21-6-11-27(31(34)30(21)33)32(39)37-14-12-36(13-15-37)18-25-16-28(38)29(20-40-25)41-19-22-7-9-23(10-8-22)26-5-3-2-4-24(26)17-35/h2-11,16,20H,12-15,18-19H2,1H3

InChI Key

BUPGUSPMJCJWAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19945928

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

555.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.592

Distribution Coefficient, logD

4.592

Water Solubility, LogSw

-4.54

Polar Surface Area

67.124

Acid Dissociation Constant (pKa)

27.91

Base Dissociation Constant (pKb)

4.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.90

References: we are preparing a list of scientific research reports with V008-5265 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-5265?
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What is the minimum amount of V008-5265 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-5265
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-5265
  • 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 V008-5265 available by request