J087-0423 Screening compound: N~2~-(4-fluorophenyl)-1,1-dioxo-3-piperidino-1H-1-benzothiophene-2-carboxamide

J087-0423 Screening compound: N~2~-(4-fluorophenyl)-1,1-dioxo-3-piperidino-1H-1-benzothiophene-2-carboxamide
J087-0423 Screening compound: N~2~-(4-fluorophenyl)-1,1-dioxo-3-piperidino-1H-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J087-0423
N~2~-(4-fluorophenyl)-1,1-dioxo-3-piperidino-1H-1-benzothiophene-2-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

J087-0423

Molecular Formula

C20H19FN2O3S (C20 H19 FN2 O3 S)

Compound Name

N~2~-(4-fluorophenyl)-1,1-dioxo-3-piperidino-1H-1-benzothiophene-2-carboxamide

IUPAC name

N-(4-fluorophenyl)-11-dioxo-3-(piperidin-1-yl)-1lambda6-benzothiophene-2-carboxamide

SMILES

O=C(C(S(c1c2cccc1)(=O)=O)=C2N1CCCCC1)Nc(cc1)ccc1F

InChI

InChI=1S/C20H19FN2O3S/c21-14-8-10-15(11-9-14)22-20(24)19-18(23-12-4-1-5-13-23)16-6-2-3-7-17(16)27(19,25)26/h2-3,6-11H,1,4-5,12-13H2,(H,22,24)

InChI Key

MFASXKDXBGTWKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09476456

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.386

Distribution Coefficient, logD

3.382

Water Solubility, LogSw

-3.90

Polar Surface Area

55.967

Acid Dissociation Constant (pKa)

9.40

Base Dissociation Constant (pKb)

-0.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

J087-0423 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with J087-0423 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J087-0423?
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What is the minimum amount of J087-0423 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J087-0423
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J087-0423
  • 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 J087-0423 available by request