J087-0427 Screening compound: N~2~-(4-fluorophenyl)-3-(4-methylpiperazino)-1,1-dioxo-1H-1-benzothiophene-2-carboxamide

J087-0427 Screening compound: N~2~-(4-fluorophenyl)-3-(4-methylpiperazino)-1,1-dioxo-1H-1-benzothiophene-2-carboxamide
J087-0427 Screening compound: N~2~-(4-fluorophenyl)-3-(4-methylpiperazino)-1,1-dioxo-1H-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J087-0427
N~2~-(4-fluorophenyl)-3-(4-methylpiperazino)-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

J087-0427

Molecular Formula

C20H20FN3O3S (C20 H20 FN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CN(CC1)CCN1C(c1c2cccc1)=C(C(Nc(cc1)ccc1F)=O)S2(=O)=O

InChI

InChI=1S/C20H20FN3O3S/c1-23-10-12-24(13-11-23)18-16-4-2-3-5-17(16)28(26,27)19(18)20(25)22-15-8-6-14(21)7-9-15/h2-9H,10-13H2,1H3,(H,22,25)

InChI Key

CAIKJKAGIUKHBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15080320

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.204

Distribution Coefficient, logD

2.156

Water Solubility, LogSw

-3.07

Polar Surface Area

59.444

Acid Dissociation Constant (pKa)

9.40

Base Dissociation Constant (pKb)

6.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

J087-0427 in Drug Discovery

Included in Screening Libraries

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with J087-0427 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J087-0427?
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What is the minimum amount of J087-0427 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J087-0427
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J087-0427
  • 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 J087-0427 available by request