8012-8307 Screening compound: N-(4-acetylphenyl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide

8012-8307 Screening compound: N-(4-acetylphenyl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
8012-8307 Screening compound: N-(4-acetylphenyl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-8307
N-(4-acetylphenyl)-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

8012-8307

Molecular Formula

C17H17NO2S (C17 H17 NO2 S)

Compound Name

N-(4-acetylphenyl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide

IUPAC name

N-(4-acetylphenyl)-4567-tetrahydro-2-benzothiophene-1-carboxamide

SMILES

CC(c(cc1)ccc1NC(c1c(CCCC2)c2cs1)=O)=O

InChI

InChI=1S/C17H17NO2S/c1-11(19)12-6-8-14(9-7-12)18-17(20)16-15-5-3-2-4-13(15)10-21-16/h6-10H,2-5H2,1H3,(H,18,20)

InChI Key

VGYXCWIGOAAOLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03308452

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.39

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

3.462

Distribution Coefficient, logD

3.460

Water Solubility, LogSw

-3.72

Polar Surface Area

38.095

Acid Dissociation Constant (pKa)

9.68

Base Dissociation Constant (pKb)

-2.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

8012-8307 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8012-8307 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-8307?
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What is the minimum amount of 8012-8307 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-8307
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-8307
  • 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 8012-8307 available by request