4674-0880 Screening compound: 3-(4-chlorophenyl)-3-(2,3-dimethylphenoxy)-1,3-dihydro-2-benzofuran-1-one

4674-0880 Screening compound: 3-(4-chlorophenyl)-3-(2,3-dimethylphenoxy)-1,3-dihydro-2-benzofuran-1-one
4674-0880 Screening compound: 3-(4-chlorophenyl)-3-(2,3-dimethylphenoxy)-1,3-dihydro-2-benzofuran-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4674-0880
3-(4-chlorophenyl)-3-(2,3-dimethylphenoxy)-1,3-dihydro-2-benzofuran-1-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

4674-0880

Molecular Formula

C22H17ClO3 (C22 H17 ClO3)

Compound Name

3-(4-chlorophenyl)-3-(2,3-dimethylphenoxy)-1,3-dihydro-2-benzofuran-1-one

IUPAC name

3-(4-chlorophenyl)-3-(23-dimethylphenoxy)-13-dihydro-2-benzofuran-1-one

SMILES

Cc1cccc(OC(c2c3cccc2)(c(cc2)ccc2Cl)OC3=O)c1C

InChI

InChI=1S/C22H17ClO3/c1-14-6-5-9-20(15(14)2)25-22(16-10-12-17(23)13-11-16)19-8-4-3-7-18(19)21(24)26-22/h3-13H,1-2H3/t22-/m1/s1

InChI Key

MQFVLGOZPPYVJY-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD01950252

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.83

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.167

Distribution Coefficient, logD

6.167

Water Solubility, LogSw

-6.16

Polar Surface Area

28.104

Acid Dissociation Constant (pKa)

28.43

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

4674-0880 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4674-0880 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4674-0880?
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What is the minimum amount of 4674-0880 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4674-0880
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4674-0880
  • 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 4674-0880 available by request