J019-0052 Screening compound: N-(3-chloro-4-fluorophenyl)-5-(N-methylmethanesulfonamido)-1-benzothiophene-2-carboxamide

J019-0052 Screening compound: N-(3-chloro-4-fluorophenyl)-5-(N-methylmethanesulfonamido)-1-benzothiophene-2-carboxamide
J019-0052 Screening compound: N-(3-chloro-4-fluorophenyl)-5-(N-methylmethanesulfonamido)-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J019-0052
N-(3-chloro-4-fluorophenyl)-5-(N-methylmethanesulfonamido)-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

J019-0052

Molecular Formula

C17H14ClFN2O3S2 (C17 H14 ClFN2 O3 S2)

Compound Name

N-(3-chloro-4-fluorophenyl)-5-(N-methylmethanesulfonamido)-1-benzothiophene-2-carboxamide

IUPAC name

N-(3-chloro-4-fluorophenyl)-5-(N-methylmethanesulfonamido)-1-benzothiophene-2-carboxamide

SMILES

CN(c(cc1)cc2c1sc(C(Nc(cc1)cc(Cl)c1F)=O)c2)S(C)(=O)=O

InChI

InChI=1S/C17H14ClFN2O3S2/c1-21(26(2,23)24)12-4-6-15-10(7-12)8-16(25-15)17(22)20-11-3-5-14(19)13(18)9-11/h3-9H,1-2H3,(H,20,22)

InChI Key

ICTCVGCMESRNQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27217943

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.428

Distribution Coefficient, logD

4.369

Water Solubility, LogSw

-4.61

Polar Surface Area

56.662

Acid Dissociation Constant (pKa)

8.24

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

J019-0052 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with J019-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J019-0052?
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What is the minimum amount of J019-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J019-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J019-0052
  • 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 J019-0052 available by request