6861-0610 Screening compound: N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-[5-methyl-2-(propan-2-yl)phenoxy]acetamide

6861-0610 Screening compound: N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-[5-methyl-2-(propan-2-yl)phenoxy]acetamide
6861-0610 Screening compound: N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-[5-methyl-2-(propan-2-yl)phenoxy]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6861-0610
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-[5-methyl-2-(propan-2-yl)phenoxy]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

6861-0610

Molecular Formula

C27H24ClNO4 (C27 H24 ClNO4)

Compound Name

N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-[5-methyl-2-(propan-2-yl)phenoxy]acetamide

IUPAC name

N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-[5-methyl-2-(propan-2-yl)phenoxy]acetamide

SMILES

CC(C)c(ccc(C)c1)c1OCC(Nc1c(C(c(cc2)ccc2Cl)=O)oc2c1cccc2)=O

InChI

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

InChI Key

LRSUWDRRAQIOEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06320244

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

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.094

Distribution Coefficient, logD

7.093

Water Solubility, LogSw

-6.39

Polar Surface Area

51.299

Acid Dissociation Constant (pKa)

9.93

Base Dissociation Constant (pKb)

-2.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

6861-0610 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

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 6861-0610 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6861-0610?
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What is the minimum amount of 6861-0610 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6861-0610
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6861-0610
  • 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 6861-0610 available by request