J019-0236 Screening compound: N-(4-fluorophenyl)-5-(N-methylethanesulfonamido)-1-benzothiophene-2-carboxamide

J019-0236 Screening compound: N-(4-fluorophenyl)-5-(N-methylethanesulfonamido)-1-benzothiophene-2-carboxamide
J019-0236 Screening compound: N-(4-fluorophenyl)-5-(N-methylethanesulfonamido)-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J019-0236
N-(4-fluorophenyl)-5-(N-methylethanesulfonamido)-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

J019-0236

Molecular Formula

C18H17FN2O3S2 (C18 H17 FN2 O3 S2)

Compound Name

N-(4-fluorophenyl)-5-(N-methylethanesulfonamido)-1-benzothiophene-2-carboxamide

IUPAC name

N-(4-fluorophenyl)-5-(N-methylethanesulfonamido)-1-benzothiophene-2-carboxamide

SMILES

CCS(N(C)c(cc1)cc2c1sc(C(Nc(cc1)ccc1F)=O)c2)(=O)=O

InChI

InChI=1S/C18H17FN2O3S2/c1-3-26(23,24)21(2)15-8-9-16-12(10-15)11-17(25-16)18(22)20-14-6-4-13(19)5-7-14/h4-11H,3H2,1-2H3,(H,20,22)

InChI Key

QWSMNISNEPOOOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27218046

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.067

Distribution Coefficient, logD

4.066

Water Solubility, LogSw

-4.05

Polar Surface Area

57.063

Acid Dissociation Constant (pKa)

10.12

Base Dissociation Constant (pKb)

-0.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

J019-0236 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with J019-0236 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J019-0236?
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What is the minimum amount of J019-0236 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J019-0236
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J019-0236
  • 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 J019-0236 available by request