8013-5798 Screening compound: N~1~-(4-chloro-1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-fluoro-1-benzenesulfonamide

8013-5798 Screening compound: N~1~-(4-chloro-1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-fluoro-1-benzenesulfonamide
8013-5798 Screening compound: N~1~-(4-chloro-1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-fluoro-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-5798
N~1~-(4-chloro-1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-fluoro-1-benzenesulfonamide

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

8013-5798

Molecular Formula

C10H11ClFNO4S2 (C10 H11 ClFNO4 S2)

Compound Name

N~1~-(4-chloro-1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-fluoro-1-benzenesulfonamide

IUPAC name

N-(4-chloro-11-dioxo-1lambda6-thiolan-3-yl)-4-fluorobenzene-1-sulfonamide

SMILES

O=S(c(cc1)ccc1F)(NC(CS(C1)(=O)=O)C1Cl)=O

InChI

InChI=1S/C10H11ClFNO4S2/c11-9-5-18(14,15)6-10(9)13-19(16,17)8-3-1-7(12)2-4-8/h1-4,9-10,13H,5-6H2

InChI Key

ZETDGWIGXBKOLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03766872

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.78

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.909

Distribution Coefficient, logD

0.906

Water Solubility, LogSw

-2.12

Polar Surface Area

70.763

Acid Dissociation Constant (pKa)

9.65

Base Dissociation Constant (pKb)

-10.60

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.00

8013-5798 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Akt-Targeted Library (14764 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Nuclear receptors
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8013-5798 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-5798?
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What is the minimum amount of 8013-5798 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-5798
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-5798
  • 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 8013-5798 available by request