8011-8027 Screening compound: 2-(cyanosulfanyl)-1-(3,4-dimethoxyphenyl)ethan-1-one

8011-8027 Screening compound: 2-(cyanosulfanyl)-1-(3,4-dimethoxyphenyl)ethan-1-one
8011-8027 Screening compound: 2-(cyanosulfanyl)-1-(3,4-dimethoxyphenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-8027
2-(cyanosulfanyl)-1-(3,4-dimethoxyphenyl)ethan-1-one

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

8011-8027

Molecular Formula

C11H11NO3S (C11 H11 NO3 S)

Compound Name

2-(cyanosulfanyl)-1-(3,4-dimethoxyphenyl)ethan-1-one

IUPAC name

2-(cyanosulfanyl)-1-(34-dimethoxyphenyl)ethan-1-one

SMILES

COc(ccc(C(CSC#N)=O)c1)c1OC

InChI

InChI=1S/C11H11NO3S/c1-14-10-4-3-8(5-11(10)15-2)9(13)6-16-7-12/h3-5H,6H2,1-2H3

InChI Key

WAIJFLLFDYMRFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02853089

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

237.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.628

Distribution Coefficient, logD

1.628

Water Solubility, LogSw

-2.28

Polar Surface Area

46.543

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

-5.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

8011-8027 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8011-8027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-8027?
Check Price and Availability of 8011-8027, 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 8011-8027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-8027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-8027
  • 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 8011-8027 available by request