8003-5294 Screening compound: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methoxybenzamide

8003-5294 Screening compound: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methoxybenzamide
8003-5294 Screening compound: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-5294
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methoxybenzamide

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

8003-5294

Molecular Formula

C17H16N2O2S (C17 H16 N2 O2 S)

Compound Name

N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methoxybenzamide

IUPAC name

N-(3-cyano-4567-tetrahydro-1-benzothiophen-2-yl)-2-methoxybenzamide

SMILES

COc(cccc1)c1C(Nc(sc1c2CCCC1)c2C#N)=O

InChI

InChI=1S/C17H16N2O2S/c1-21-14-8-4-2-7-12(14)16(20)19-17-13(10-18)11-6-3-5-9-15(11)22-17/h2,4,7-8H,3,5-6,9H2,1H3,(H,19,20)

InChI Key

JWEWISPZFGVKEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00705128

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.502

Distribution Coefficient, logD

-0.385

Water Solubility, LogSw

-4.14

Polar Surface Area

47.731

Acid Dissociation Constant (pKa)

3.51

Base Dissociation Constant (pKb)

-6.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

8003-5294 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with 8003-5294 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-5294?
Check Price and Availability of 8003-5294, 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 8003-5294 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-5294
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-5294
  • 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 8003-5294 available by request