D087-0513 Screening compound: N~3~-(3,4-dimethylphenyl)-1,1-dioxotetrahydro-1H-1lambda~6~-thiophene-3-sulfonamide

D087-0513 Screening compound: N~3~-(3,4-dimethylphenyl)-1,1-dioxotetrahydro-1H-1lambda~6~-thiophene-3-sulfonamide
D087-0513 Screening compound: N~3~-(3,4-dimethylphenyl)-1,1-dioxotetrahydro-1H-1lambda~6~-thiophene-3-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D087-0513
N~3~-(3,4-dimethylphenyl)-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

D087-0513

Molecular Formula

C12H17NO4S2 (C12 H17 NO4 S2)

Compound Name

N~3~-(3,4-dimethylphenyl)-1,1-dioxotetrahydro-1H-1lambda~6~-thiophene-3-sulfonamide

IUPAC name

N-(34-dimethylphenyl)-11-dioxo-1lambda6-thiolane-3-sulfonamide

SMILES

Cc(cc1)c(C)cc1NS(C(CC1)CS1(=O)=O)(=O)=O

InChI

InChI=1S/C12H17NO4S2/c1-9-3-4-11(7-10(9)2)13-19(16,17)12-5-6-18(14,15)8-12/h3-4,7,12-13H,5-6,8H2,1-2H3/t12-/m1/s1

InChI Key

XZVCGIORGNGIES-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD09058322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.4

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

1.820

Distribution Coefficient, logD

1.818

Water Solubility, LogSw

-2.41

Polar Surface Area

69.517

Acid Dissociation Constant (pKa)

9.64

Base Dissociation Constant (pKb)

-8.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

D087-0513 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 compounds)

CNS MPO Library (28609 compounds)

Nucleic Acid Ligands (8311 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D087-0513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D087-0513?
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What is the minimum amount of D087-0513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D087-0513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D087-0513
  • 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 D087-0513 available by request