6861-0585 Screening compound: N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(2-fluorophenoxy)butanamide

6861-0585 Screening compound: N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(2-fluorophenoxy)butanamide
6861-0585 Screening compound: N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(2-fluorophenoxy)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6861-0585
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(2-fluorophenoxy)butanamide

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

6861-0585

Molecular Formula

C25H19ClFNO4 (C25 H19 ClFNO4)

Compound Name

N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(2-fluorophenoxy)butanamide

IUPAC name

N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(2-fluorophenoxy)butanamide

SMILES

CCC(C(Nc1c(C(c(cc2)ccc2Cl)=O)oc2c1cccc2)=O)Oc(cccc1)c1F

InChI

InChI=1S/C25H19ClFNO4/c1-2-19(31-21-10-6-4-8-18(21)27)25(30)28-22-17-7-3-5-9-20(17)32-24(22)23(29)15-11-13-16(26)14-12-15/h3-14,19H,2H2,1H3,(H,28,30)/t19-/m0/s1

InChI Key

NWUXQXIUXCOIEU-IBGZPJMESA-N

MDL Number (MFCD)

MFCD06320228

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.88

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

6.469

Distribution Coefficient, logD

6.465

Water Solubility, LogSw

-6.38

Polar Surface Area

50.686

Acid Dissociation Constant (pKa)

9.49

Base Dissociation Constant (pKb)

-1.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.00

6861-0585 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 6861-0585 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6861-0585?
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What is the minimum amount of 6861-0585 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6861-0585
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6861-0585
  • 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 6861-0585 available by request