6861-0414 Screening compound: N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(2-fluorophenoxy)propanamide

6861-0414 Screening compound: N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(2-fluorophenoxy)propanamide
6861-0414 Screening compound: N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(2-fluorophenoxy)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6861-0414
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(2-fluorophenoxy)propanamide

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

6861-0414

Molecular Formula

C24H17ClFNO4 (C24 H17 ClFNO4)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C24H17ClFNO4/c1-14(30-20-9-5-3-7-18(20)26)24(29)27-21-17-6-2-4-8-19(17)31-23(21)22(28)15-10-12-16(25)13-11-15/h2-14H,1H3,(H,27,29)/t14-/m0/s1

InChI Key

IBQDJDWOBUPHIO-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD04448685

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.85

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

5.872

Distribution Coefficient, logD

5.869

Water Solubility, LogSw

-6.25

Polar Surface Area

50.803

Acid Dissociation Constant (pKa)

9.68

Base Dissociation Constant (pKb)

-1.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.30

6861-0414 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 6861-0414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6861-0414?
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What is the minimum amount of 6861-0414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6861-0414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6861-0414
  • 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 6861-0414 available by request