V006-3733 Screening compound: 4'-{[(4-oxo-6-{[4-(3-phenylpropanoyl)piperazin-1-yl]methyl}-4H-pyran-3-yl)oxy]methyl}-[1,1'-biphenyl]-2-carbonitrile

V006-3733 Screening compound: 4'-{[(4-oxo-6-{[4-(3-phenylpropanoyl)piperazin-1-yl]methyl}-4H-pyran-3-yl)oxy]methyl}-[1,1'-biphenyl]-2-carbonitrile
V006-3733 Screening compound: 4'-{[(4-oxo-6-{[4-(3-phenylpropanoyl)piperazin-1-yl]methyl}-4H-pyran-3-yl)oxy]methyl}-[1,1'-biphenyl]-2-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-3733
4'-{[(4-oxo-6-{[4-(3-phenylpropanoyl)piperazin-1-yl]methyl}-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

V006-3733

Molecular Formula

C33H31N3O4 (C33 H31 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

N#Cc(cccc1)c1-c1ccc(COC2=COC(CN(CC3)CCN3C(CCc3ccccc3)=O)=CC2=O)cc1

InChI

InChI=1S/C33H31N3O4/c34-21-28-8-4-5-9-30(28)27-13-10-26(11-14-27)23-40-32-24-39-29(20-31(32)37)22-35-16-18-36(19-17-35)33(38)15-12-25-6-2-1-3-7-25/h1-11,13-14,20,24H,12,15-19,22-23H2

InChI Key

PWESLQASAWLYEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19945903

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

533.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.012

Distribution Coefficient, logD

4.011

Water Solubility, LogSw

-4.40

Polar Surface Area

66.597

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

4.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.20

V006-3733 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V006-3733 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-3733?
Check Price and Availability of V006-3733, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V006-3733 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-3733
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-3733
  • 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 V006-3733 available by request