1311-2232 Screening compound: 3-benzyl-4-methyl-7-[2-(4-methylphenyl)-2-oxoethoxy]-2H-chromen-2-one

1311-2232 Screening compound: 3-benzyl-4-methyl-7-[2-(4-methylphenyl)-2-oxoethoxy]-2H-chromen-2-one
1311-2232 Screening compound: 3-benzyl-4-methyl-7-[2-(4-methylphenyl)-2-oxoethoxy]-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1311-2232
3-benzyl-4-methyl-7-[2-(4-methylphenyl)-2-oxoethoxy]-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

1311-2232

Molecular Formula

C26H22O4 (C26 H22 O4)

Compound Name

3-benzyl-4-methyl-7-[2-(4-methylphenyl)-2-oxoethoxy]-2H-chromen-2-one

IUPAC name

3-benzyl-4-methyl-7-[2-(4-methylphenyl)-2-oxoethoxy]-2H-chromen-2-one

SMILES

Cc(cc1)ccc1C(COc(cc1)cc(O2)c1C(C)=C(Cc1ccccc1)C2=O)=O

InChI

InChI=1S/C26H22O4/c1-17-8-10-20(11-9-17)24(27)16-29-21-12-13-22-18(2)23(26(28)30-25(22)15-21)14-19-6-4-3-5-7-19/h3-13,15H,14,16H2,1-2H3

InChI Key

GQFVWVITMRHWLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01106723

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.266

Distribution Coefficient, logD

5.266

Water Solubility, LogSw

-5.36

Polar Surface Area

41.363

Acid Dissociation Constant (pKa)

22.29

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

1311-2232 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 1311-2232 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1311-2232 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1311-2232
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1311-2232
  • 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 1311-2232 available by request