6861-0590 Screening compound: 2-(4-fluorophenoxy)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]butanamide

6861-0590 Screening compound: 2-(4-fluorophenoxy)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]butanamide
6861-0590 Screening compound: 2-(4-fluorophenoxy)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6861-0590
2-(4-fluorophenoxy)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]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

6861-0590

Molecular Formula

C26H22FNO4 (C26 H22 FNO4)

Compound Name

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

IUPAC name

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

SMILES

CCC(C(Nc1c(C(c2ccc(C)cc2)=O)oc2c1cccc2)=O)Oc(cc1)ccc1F

InChI

InChI=1S/C26H22FNO4/c1-3-21(31-19-14-12-18(27)13-15-19)26(30)28-23-20-6-4-5-7-22(20)32-25(23)24(29)17-10-8-16(2)9-11-17/h4-15,21H,3H2,1-2H3,(H,28,30)/t21-/m0/s1

InChI Key

JXMMRURJRDWBAD-NRFANRHFSA-N

MDL Number (MFCD)

MFCD06320233

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.46

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

6.118

Distribution Coefficient, logD

6.114

Water Solubility, LogSw

-5.79

Polar Surface Area

50.599

Acid Dissociation Constant (pKa)

9.49

Base Dissociation Constant (pKb)

-1.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

6861-0590 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
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 6861-0590 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6861-0590?
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What is the minimum amount of 6861-0590 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6861-0590
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6861-0590
  • 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 6861-0590 available by request