D087-0518 Screening compound: N~3~-(4-chloro-2-methylphenyl)-1,1-dioxotetrahydro-1H-1lambda~6~-thiophene-3-sulfonamide

D087-0518 Screening compound: N~3~-(4-chloro-2-methylphenyl)-1,1-dioxotetrahydro-1H-1lambda~6~-thiophene-3-sulfonamide
D087-0518 Screening compound: N~3~-(4-chloro-2-methylphenyl)-1,1-dioxotetrahydro-1H-1lambda~6~-thiophene-3-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D087-0518
N~3~-(4-chloro-2-methylphenyl)-1,1-dioxotetrahydro-1H-1lambda~6~-thiophene-3-sulfonamide

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

D087-0518

Molecular Formula

C11H14ClNO4S2 (C11 H14 ClNO4 S2)

Compound Name

N~3~-(4-chloro-2-methylphenyl)-1,1-dioxotetrahydro-1H-1lambda~6~-thiophene-3-sulfonamide

IUPAC name

N-(4-chloro-2-methylphenyl)-11-dioxo-1lambda6-thiolane-3-sulfonamide

SMILES

Cc(cc(cc1)Cl)c1NS(C(CC1)CS1(=O)=O)(=O)=O

InChI

InChI=1S/C11H14ClNO4S2/c1-8-6-9(12)2-3-11(8)13-19(16,17)10-4-5-18(14,15)7-10/h2-3,6,10,13H,4-5,7H2,1H3/t10-/m0/s1

InChI Key

AUTIOUSOPAPWAX-JTQLQIEISA-N

MDL Number (MFCD)

MFCD09982521

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.82

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.941

Distribution Coefficient, logD

1.707

Water Solubility, LogSw

-2.72

Polar Surface Area

68.819

Acid Dissociation Constant (pKa)

7.54

Base Dissociation Constant (pKb)

-9.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

D087-0518 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiparasite Library (23996 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D087-0518 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D087-0518?
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What is the minimum amount of D087-0518 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D087-0518
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D087-0518
  • 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 D087-0518 available by request