D087-0486 Screening compound: 3-[(4-phenylpiperazino)sulfonyl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

D087-0486 Screening compound: 3-[(4-phenylpiperazino)sulfonyl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
D087-0486 Screening compound: 3-[(4-phenylpiperazino)sulfonyl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D087-0486
3-[(4-phenylpiperazino)sulfonyl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

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

D087-0486

Molecular Formula

C14H20N2O4S2 (C14 H20 N2 O4 S2)

Compound Name

3-[(4-phenylpiperazino)sulfonyl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

IUPAC name

3-[(4-phenylpiperazin-1-yl)sulfonyl]-1lambda6-thiolane-11-dione

SMILES

O=S(C(CC1)CS1(=O)=O)(N(CC1)CCN1c1ccccc1)=O

InChI

InChI=1S/C14H20N2O4S2/c17-21(18)11-6-14(12-21)22(19,20)16-9-7-15(8-10-16)13-4-2-1-3-5-13/h1-5,14H,6-12H2/t14-/m1/s1

InChI Key

DRHMOHLLFYWVGC-CQSZACIVSA-N

MDL Number (MFCD)

MFCD09058318

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.631

Distribution Coefficient, logD

0.631

Water Solubility, LogSw

-1.84

Polar Surface Area

63.839

Acid Dissociation Constant (pKa)

19.75

Base Dissociation Constant (pKb)

5.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.10

D087-0486 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D087-0486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D087-0486?
Check Price and Availability of D087-0486, 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 D087-0486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D087-0486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D087-0486
  • 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 D087-0486 available by request