0136-0243 Screening compound: N-[3-(cyanosulfanyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide

0136-0243 Screening compound: N-[3-(cyanosulfanyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide
0136-0243 Screening compound: N-[3-(cyanosulfanyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0136-0243
N-[3-(cyanosulfanyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide

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

0136-0243

Molecular Formula

C11H12N2OS2 (C11 H12 N2 OS2)

Compound Name

N-[3-(cyanosulfanyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide

IUPAC name

N-[3-(cyanosulfanyl)-4567-tetrahydro-1-benzothiophen-2-yl]acetamide

SMILES

CC(Nc(sc1c2CCCC1)c2SC#N)=O

InChI

InChI=1S/C11H12N2OS2/c1-7(14)13-11-10(15-6-12)8-4-2-3-5-9(8)16-11/h2-5H2,1H3,(H,13,14)

InChI Key

YOYWYLCOXSMKNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00600667

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

252.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.287

Distribution Coefficient, logD

2.240

Water Solubility, LogSw

-2.50

Polar Surface Area

41.012

Acid Dissociation Constant (pKa)

8.34

Base Dissociation Constant (pKb)

-3.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

0136-0243 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 0136-0243 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0136-0243?
Check Price and Availability of 0136-0243, 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 0136-0243 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0136-0243
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0136-0243
  • 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 0136-0243 available by request