6861-0246 Screening compound: N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-2-(4-methylphenoxy)acetamide

6861-0246 Screening compound: N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-2-(4-methylphenoxy)acetamide
6861-0246 Screening compound: N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-2-(4-methylphenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6861-0246
N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-2-(4-methylphenoxy)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

6861-0246

Molecular Formula

C25H21NO4 (C25 H21 NO4)

Compound Name

N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-2-(4-methylphenoxy)acetamide

IUPAC name

N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-2-(4-methylphenoxy)acetamide

SMILES

Cc(cc1)ccc1C(c(oc1c2cccc1)c2NC(COc1ccc(C)cc1)=O)=O

InChI

InChI=1S/C25H21NO4/c1-16-7-11-18(12-8-16)24(28)25-23(20-5-3-4-6-21(20)30-25)26-22(27)15-29-19-13-9-17(2)10-14-19/h3-14H,15H2,1-2H3,(H,26,27)

InChI Key

WMSMQEFIEIGFKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04448644

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.45

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

5.565

Distribution Coefficient, logD

5.564

Water Solubility, LogSw

-5.75

Polar Surface Area

51.213

Acid Dissociation Constant (pKa)

9.93

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

6861-0246 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 6861-0246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6861-0246?
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What is the minimum amount of 6861-0246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6861-0246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6861-0246
  • 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 6861-0246 available by request