V008-5021 Screening compound: 4'-{[(6-{[4-(2-chloro-5-fluorobenzoyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}-[1,1'-biphenyl]-2-carbonitrile

V008-5021 Screening compound: 4'-{[(6-{[4-(2-chloro-5-fluorobenzoyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}-[1,1'-biphenyl]-2-carbonitrile
V008-5021 Screening compound: 4'-{[(6-{[4-(2-chloro-5-fluorobenzoyl)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 V008-5021
4'-{[(6-{[4-(2-chloro-5-fluorobenzoyl)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

V008-5021

Molecular Formula

C31H25ClFN3O4 (C31 H25 ClFN3 O4)

Compound Name

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

IUPAC name

4'-{[(6-{[4-(2-chloro-5-fluorobenzoyl)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)CCN3C(c(cc(cc3)F)c3Cl)=O)=CC2=O)cc1

InChI

InChI=1S/C31H25ClFN3O4/c32-28-10-9-24(33)15-27(28)31(38)36-13-11-35(12-14-36)18-25-16-29(37)30(20-39-25)40-19-21-5-7-22(8-6-21)26-4-2-1-3-23(26)17-34/h1-10,15-16,20H,11-14,18-19H2

InChI Key

FPMMMIOROMBTBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19945929

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

558.01

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

4.325

Distribution Coefficient, logD

4.324

Water Solubility, LogSw

-4.61

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

19.40

References: we are preparing a list of scientific research reports with V008-5021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-5021?
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What is the minimum amount of V008-5021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-5021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-5021
  • 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 V008-5021 available by request