6861-0135 Screening compound: N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-oxo-2H-chromene-3-carboxamide

6861-0135 Screening compound: N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-oxo-2H-chromene-3-carboxamide
6861-0135 Screening compound: N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-oxo-2H-chromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6861-0135
N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-oxo-2H-chromene-3-carboxamide

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

6861-0135

Molecular Formula

C25H14FNO5 (C25 H14 FNO5)

Compound Name

N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-oxo-2H-chromene-3-carboxamide

IUPAC name

N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-oxo-2H-chromene-3-carboxamide

SMILES

O=C(c(oc1c2cccc1)c2NC(C1=Cc(cccc2)c2OC1=O)=O)c(cc1)ccc1F

InChI

InChI=1S/C25H14FNO5/c26-16-11-9-14(10-12-16)22(28)23-21(17-6-2-4-8-20(17)31-23)27-24(29)18-13-15-5-1-3-7-19(15)32-25(18)30/h1-13H,(H,27,29)

InChI Key

XKIRESUJPFFCAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06319895

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.432

Distribution Coefficient, logD

4.001

Water Solubility, LogSw

-4.80

Polar Surface Area

64.849

Acid Dissociation Constant (pKa)

7.17

Base Dissociation Constant (pKb)

-2.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

6861-0135 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • 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 6861-0135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6861-0135?
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What is the minimum amount of 6861-0135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6861-0135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6861-0135
  • 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 6861-0135 available by request