J087-0065 Screening compound: 1,1-dioxo-N~2~-phenyl-3-(1-pyrrolidinyl)-1H-1-benzothiophene-2-carboxamide

J087-0065 Screening compound: 1,1-dioxo-N~2~-phenyl-3-(1-pyrrolidinyl)-1H-1-benzothiophene-2-carboxamide
J087-0065 Screening compound: 1,1-dioxo-N~2~-phenyl-3-(1-pyrrolidinyl)-1H-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J087-0065
1,1-dioxo-N~2~-phenyl-3-(1-pyrrolidinyl)-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

J087-0065

Molecular Formula

C19H18N2O3S (C19 H18 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(S(c1c2cccc1)(=O)=O)=C2N1CCCC1)Nc1ccccc1

InChI

InChI=1S/C19H18N2O3S/c22-19(20-14-8-2-1-3-9-14)18-17(21-12-6-7-13-21)15-10-4-5-11-16(15)25(18,23)24/h1-5,8-11H,6-7,12-13H2,(H,20,22)

InChI Key

FWGKDOPYBMYQRA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09218089

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.43

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

2.887

Distribution Coefficient, logD

2.886

Water Solubility, LogSw

-3.82

Polar Surface Area

56.333

Acid Dissociation Constant (pKa)

11.20

Base Dissociation Constant (pKb)

0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

J087-0065 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 J087-0065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J087-0065?
Check Price and Availability of J087-0065, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of J087-0065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J087-0065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J087-0065
  • 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 J087-0065 available by request