8012-3116 Screening compound: (4-chlorophenyl)(ethyl)dioxo-lambda~6~-sulfane

8012-3116 Screening compound: (4-chlorophenyl)(ethyl)dioxo-lambda~6~-sulfane
8012-3116 Screening compound: (4-chlorophenyl)(ethyl)dioxo-lambda~6~-sulfane alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-3116
(4-chlorophenyl)(ethyl)dioxo-lambda~6~-sulfane

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

8012-3116

Molecular Formula

C8H9ClO2S (C8 H9 ClO2 S)

Compound Name

(4-chlorophenyl)(ethyl)dioxo-lambda~6~-sulfane

IUPAC name

1-chloro-4-(ethanesulfonyl)benzene

SMILES

CCS(c(cc1)ccc1Cl)(=O)=O

InChI

InChI=1S/C8H9ClO2S/c1-2-12(10,11)8-5-3-7(9)4-6-8/h3-6H,2H2,1H3

InChI Key

FVSFDDWOQCUYKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00035896

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

204.68

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

1.967

Distribution Coefficient, logD

1.967

Water Solubility, LogSw

-2.37

Polar Surface Area

29.275

Acid Dissociation Constant (pKa)

21.23

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8012-3116 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with 8012-3116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-3116?
Check Price and Availability of 8012-3116, 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 8012-3116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-3116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-3116
  • 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 8012-3116 available by request