Y040-7739 Screening compound: 3-benzyl-4-methyl-7-[(2,3,5,6-tetramethylphenyl)methoxy]-2H-chromen-2-one

Y040-7739 Screening compound: 3-benzyl-4-methyl-7-[(2,3,5,6-tetramethylphenyl)methoxy]-2H-chromen-2-one
Y040-7739 Screening compound: 3-benzyl-4-methyl-7-[(2,3,5,6-tetramethylphenyl)methoxy]-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-7739
3-benzyl-4-methyl-7-[(2,3,5,6-tetramethylphenyl)methoxy]-2H-chromen-2-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

Y040-7739

Molecular Formula

C28H28O3 (C28 H28 O3)

Compound Name

3-benzyl-4-methyl-7-[(2,3,5,6-tetramethylphenyl)methoxy]-2H-chromen-2-one

IUPAC name

3-benzyl-4-methyl-7-[(2356-tetramethylphenyl)methoxy]-2H-chromen-2-one

SMILES

Cc1c(C)c(COc(cc2)cc(O3)c2C(C)=C(Cc2ccccc2)C3=O)c(C)c(C)c1

InChI

InChI=1S/C28H28O3/c1-17-13-18(2)20(4)26(19(17)3)16-30-23-11-12-24-21(5)25(28(29)31-27(24)15-23)14-22-9-7-6-8-10-22/h6-13,15H,14,16H2,1-5H3

InChI Key

FKIVMPMAUYXWIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03029517

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.397

Distribution Coefficient, logD

7.397

Water Solubility, LogSw

-5.85

Polar Surface Area

28.116

Acid Dissociation Constant (pKa)

26.65

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

Y040-7739 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y040-7739 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-7739?
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What is the minimum amount of Y040-7739 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-7739
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-7739
  • 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 Y040-7739 available by request