8012-5978 Screening compound: N-(pyridin-3-yl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide

8012-5978 Screening compound: N-(pyridin-3-yl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
8012-5978 Screening compound: N-(pyridin-3-yl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-5978
N-(pyridin-3-yl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide

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

8012-5978

Molecular Formula

C14H14N2OS (C14 H14 N2 OS)

Compound Name

N-(pyridin-3-yl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide

IUPAC name

N-(pyridin-3-yl)-4567-tetrahydro-2-benzothiophene-1-carboxamide

SMILES

O=C(c1c(CCCC2)c2cs1)Nc1cnccc1

InChI

InChI=1S/C14H14N2OS/c17-14(16-11-5-3-7-15-8-11)13-12-6-2-1-4-10(12)9-18-13/h3,5,7-9H,1-2,4,6H2,(H,16,17)

InChI Key

LIJFJQSLKSUGCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03036766

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

258.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.844

Distribution Coefficient, logD

2.843

Water Solubility, LogSw

-3.11

Polar Surface Area

33.786

Acid Dissociation Constant (pKa)

11.36

Base Dissociation Constant (pKb)

3.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

8012-5978 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

Fragments Library (11262 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Receptors Annotated Library (5376 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Structure:
  • Fragments
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8012-5978 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-5978?
Check Price and Availability of 8012-5978, 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 8012-5978 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-5978
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-5978
  • 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 8012-5978 available by request