V009-0277 Screening compound: 4'-{[(6-{[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}-[1,1'-biphenyl]-2-carbonitrile

V009-0277 Screening compound: 4'-{[(6-{[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}-[1,1'-biphenyl]-2-carbonitrile
V009-0277 Screening compound: 4'-{[(6-{[4-(2,5-dimethylfuran-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 V009-0277
4'-{[(6-{[4-(2,5-dimethylfuran-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

V009-0277

Molecular Formula

C31H29N3O5 (C31 H29 N3 O5)

Compound Name

4'-{[(6-{[4-(2,5-dimethylfuran-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-dimethylfuran-3-carbonyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}-[11'-biphenyl]-2-carbonitrile

SMILES

Cc1cc(C(N2CCN(CC(OC=C3OCc(cc4)ccc4-c(cccc4)c4C#N)=CC3=O)CC2)=O)c(C)o1

InChI

InChI=1S/C31H29N3O5/c1-21-15-28(22(2)39-21)31(36)34-13-11-33(12-14-34)18-26-16-29(35)30(20-37-26)38-19-23-7-9-24(10-8-23)27-6-4-3-5-25(27)17-32/h3-10,15-16,20H,11-14,18-19H2,1-2H3

InChI Key

NEICRKLXXYZOLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19945930

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

523.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.427

Distribution Coefficient, logD

3.426

Water Solubility, LogSw

-3.70

Polar Surface Area

74.871

Acid Dissociation Constant (pKa)

28.47

Base Dissociation Constant (pKb)

4.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.80

References: we are preparing a list of scientific research reports with V009-0277 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-0277?
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What is the minimum amount of V009-0277 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-0277
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-0277
  • 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 V009-0277 available by request