J087-0355 Screening compound: 3-(sec-butylamino)-N~2~-(4-methylphenyl)-1,1-dioxo-1H-1-benzothiophene-2-carboxamide

J087-0355 Screening compound: 3-(sec-butylamino)-N~2~-(4-methylphenyl)-1,1-dioxo-1H-1-benzothiophene-2-carboxamide
J087-0355 Screening compound: 3-(sec-butylamino)-N~2~-(4-methylphenyl)-1,1-dioxo-1H-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J087-0355
3-(sec-butylamino)-N~2~-(4-methylphenyl)-1,1-dioxo-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

J087-0355

Molecular Formula

C20H22N2O3S (C20 H22 N2 O3 S)

Compound Name

3-(sec-butylamino)-N~2~-(4-methylphenyl)-1,1-dioxo-1H-1-benzothiophene-2-carboxamide

IUPAC name

3-[(butan-2-yl)amino]-N-(4-methylphenyl)-11-dioxo-1lambda6-benzothiophene-2-carboxamide

SMILES

CCC(C)NC(c1c2cccc1)=C(C(Nc1ccc(C)cc1)=O)S2(=O)=O

InChI

InChI=1S/C20H22N2O3S/c1-4-14(3)21-18-16-7-5-6-8-17(16)26(24,25)19(18)20(23)22-15-11-9-13(2)10-12-15/h5-12,14,21H,4H2,1-3H3,(H,22,23)/t14-/m0/s1

InChI Key

FACRPMVMHXXPDW-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD09476432

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.409

Distribution Coefficient, logD

3.409

Water Solubility, LogSw

-3.85

Polar Surface Area

62.743

Acid Dissociation Constant (pKa)

10.83

Base Dissociation Constant (pKb)

-2.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

J087-0355 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 J087-0355 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J087-0355?
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What is the minimum amount of J087-0355 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J087-0355
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J087-0355
  • 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 J087-0355 available by request