0848-0056 Screening compound: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide

0848-0056 Screening compound: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide
0848-0056 Screening compound: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0848-0056
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide

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

0848-0056

Molecular Formula

C16H14N2OS (C16 H14 N2 OS)

Compound Name

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

IUPAC name

n/a

SMILES

N#Cc1c(NC(c2ccccc2)=O)sc2c1CCCC2

InChI

InChI=1S/C16H14N2OS/c17-10-13-12-8-4-5-9-14(12)20-16(13)18-15(19)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-9H2,(H,18,19)

InChI Key

OKFHWMLGUMHKFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00541149

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.572

Distribution Coefficient, logD

0.966

Water Solubility, LogSw

-4.02

Polar Surface Area

40.101

Acid Dissociation Constant (pKa)

4.80

Base Dissociation Constant (pKb)

-6.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

0848-0056 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-Aging Library (44940 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 0848-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0848-0056?
Check Price and Availability of 0848-0056, 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 0848-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0848-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0848-0056
  • 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 0848-0056 available by request