D087-0003 Screening compound: 1,1-dioxo-N~3~-phenyltetrahydro-1H-1lambda~6~-thiophene-3-sulfonamide

D087-0003 Screening compound: 1,1-dioxo-N~3~-phenyltetrahydro-1H-1lambda~6~-thiophene-3-sulfonamide
D087-0003 Screening compound: 1,1-dioxo-N~3~-phenyltetrahydro-1H-1lambda~6~-thiophene-3-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D087-0003
1,1-dioxo-N~3~-phenyltetrahydro-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

D087-0003

Molecular Formula

C10H13NO4S2 (C10 H13 NO4 S2)

Compound Name

1,1-dioxo-N~3~-phenyltetrahydro-1H-1lambda~6~-thiophene-3-sulfonamide

IUPAC name

11-dioxo-N-phenyl-1lambda6-thiolane-3-sulfonamide

SMILES

O=S(C(CC1)CS1(=O)=O)(Nc1ccccc1)=O

InChI

InChI=1S/C10H13NO4S2/c12-16(13)7-6-10(8-16)17(14,15)11-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2/t10-/m1/s1

InChI Key

LEZHBTCARCVQFQ-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD00526121

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

275.35

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

0.674

Distribution Coefficient, logD

0.671

Water Solubility, LogSw

-1.96

Polar Surface Area

69.517

Acid Dissociation Constant (pKa)

9.58

Base Dissociation Constant (pKb)

-9.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

D087-0003 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

CNS MPO Library (28609 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D087-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D087-0003?
Check Price and Availability of D087-0003, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D087-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D087-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D087-0003
  • 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 D087-0003 available by request