Y040-6714 Screening compound: 6-benzyl-3-{[1,1'-biphenyl]-4-yl}-5,9-dimethyl-7H-furo[3,2-g]chromen-7-one

Y040-6714 Screening compound: 6-benzyl-3-{[1,1'-biphenyl]-4-yl}-5,9-dimethyl-7H-furo[3,2-g]chromen-7-one
Y040-6714 Screening compound: 6-benzyl-3-{[1,1'-biphenyl]-4-yl}-5,9-dimethyl-7H-furo[3,2-g]chromen-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-6714
6-benzyl-3-{[1,1'-biphenyl]-4-yl}-5,9-dimethyl-7H-furo[3,2-g]chromen-7-one

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

Y040-6714

Molecular Formula

C32H24O3 (C32 H24 O3)

Compound Name

6-benzyl-3-{[1,1'-biphenyl]-4-yl}-5,9-dimethyl-7H-furo[3,2-g]chromen-7-one

IUPAC name

6-benzyl-3-{[11'-biphenyl]-4-yl}-59-dimethyl-7H-furo[32-g]chromen-7-one

SMILES

Cc(c(O1)c(cc23)C(C)=C(Cc4ccccc4)C1=O)c2occ3-c(cc1)ccc1-c1ccccc1

InChI

InChI=1S/C32H24O3/c1-20-26-18-28-29(25-15-13-24(14-16-25)23-11-7-4-8-12-23)19-34-30(28)21(2)31(26)35-32(33)27(20)17-22-9-5-3-6-10-22/h3-16,18-19H,17H2,1-2H3

InChI Key

OWJVVLXKNUEZOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02185437

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

8.197

Distribution Coefficient, logD

8.197

Water Solubility, LogSw

-5.98

Polar Surface Area

29.822

Acid Dissociation Constant (pKa)

26.65

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.40

Y040-6714 in Drug Discovery

Included in Screening Libraries

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

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y040-6714 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-6714?
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What is the minimum amount of Y040-6714 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-6714
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-6714
  • 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 Y040-6714 available by request