V008-5012 Screening compound: 4'-{[(6-{[4-(2,5-dichlorothiophene-3-carbonyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}-[1,1'-biphenyl]-2-carbonitrile

V008-5012 Screening compound: 4'-{[(6-{[4-(2,5-dichlorothiophene-3-carbonyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}-[1,1'-biphenyl]-2-carbonitrile
V008-5012 Screening compound: 4'-{[(6-{[4-(2,5-dichlorothiophene-3-carbonyl)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 V008-5012
4'-{[(6-{[4-(2,5-dichlorothiophene-3-carbonyl)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

V008-5012

Molecular Formula

C29H23Cl2N3O4S (C29 H23 Cl2 N3 O4 S)

Compound Name

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

IUPAC name

4'-{[(6-{[4-(25-dichlorothiophene-3-carbonyl)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(s3)Cl)c3Cl)=O)=CC2=O)cc1

InChI

InChI=1S/C29H23Cl2N3O4S/c30-27-14-24(28(31)39-27)29(36)34-11-9-33(10-12-34)16-22-13-25(35)26(18-37-22)38-17-19-5-7-20(8-6-19)23-4-2-1-3-21(23)15-32/h1-8,13-14,18H,9-12,16-17H2

InChI Key

URIRECVPVUHAJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19945922

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

580.49

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

4.513

Distribution Coefficient, logD

4.512

Water Solubility, LogSw

-4.66

Polar Surface Area

68.142

Acid Dissociation Constant (pKa)

27.85

Base Dissociation Constant (pKb)

4.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

References: we are preparing a list of scientific research reports with V008-5012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-5012?
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What is the minimum amount of V008-5012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-5012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-5012
  • 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 V008-5012 available by request