J087-0085 Screening compound: 3-(4-methylpiperidino)-1,1-dioxo-N~2~-phenyl-1H-1-benzothiophene-2-carboxamide

J087-0085 Screening compound: 3-(4-methylpiperidino)-1,1-dioxo-N~2~-phenyl-1H-1-benzothiophene-2-carboxamide
J087-0085 Screening compound: 3-(4-methylpiperidino)-1,1-dioxo-N~2~-phenyl-1H-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J087-0085
3-(4-methylpiperidino)-1,1-dioxo-N~2~-phenyl-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

J087-0085

Molecular Formula

C21H22N2O3S (C21 H22 N2 O3 S)

Compound Name

3-(4-methylpiperidino)-1,1-dioxo-N~2~-phenyl-1H-1-benzothiophene-2-carboxamide

IUPAC name

3-(4-methylpiperidin-1-yl)-11-dioxo-N-phenyl-1lambda6-benzothiophene-2-carboxamide

SMILES

CC(CC1)CCN1C(c1c2cccc1)=C(C(Nc1ccccc1)=O)S2(=O)=O

InChI

InChI=1S/C21H22N2O3S/c1-15-11-13-23(14-12-15)19-17-9-5-6-10-18(17)27(25,26)20(19)21(24)22-16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3,(H,22,24)

InChI Key

QACJZIBZDWNTAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09218109

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.48

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

3.496

Distribution Coefficient, logD

3.495

Water Solubility, LogSw

-3.84

Polar Surface Area

55.967

Acid Dissociation Constant (pKa)

11.20

Base Dissociation Constant (pKb)

0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

J087-0085 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 J087-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J087-0085?
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What is the minimum amount of J087-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J087-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J087-0085
  • 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 J087-0085 available by request