Y040-7721 Screening compound: 2-[(3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]-N-(2,6-dimethylphenyl)acetamide

Y040-7721 Screening compound: 2-[(3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]-N-(2,6-dimethylphenyl)acetamide
Y040-7721 Screening compound: 2-[(3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]-N-(2,6-dimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-7721
2-[(3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]-N-(2,6-dimethylphenyl)acetamide

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

Y040-7721

Molecular Formula

C27H24ClNO4 (C27 H24 ClNO4)

Compound Name

2-[(3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]-N-(2,6-dimethylphenyl)acetamide

IUPAC name

2-[(3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]-N-(26-dimethylphenyl)acetamide

SMILES

Cc1cccc(C)c1NC(COc(cc(c(C(C)=C1Cc2ccccc2)c2)OC1=O)c2Cl)=O

InChI

InChI=1S/C27H24ClNO4/c1-16-8-7-9-17(2)26(16)29-25(30)15-32-24-14-23-20(13-22(24)28)18(3)21(27(31)33-23)12-19-10-5-4-6-11-19/h4-11,13-14H,12,15H2,1-3H3,(H,29,30)

InChI Key

PLSMPHLHLDULIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04212483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.131

Distribution Coefficient, logD

6.131

Water Solubility, LogSw

-6.11

Polar Surface Area

49.956

Acid Dissociation Constant (pKa)

12.19

Base Dissociation Constant (pKb)

-1.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

Y040-7721 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 Y040-7721 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-7721?
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What is the minimum amount of Y040-7721 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-7721
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-7721
  • 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 Y040-7721 available by request