8755-0189 Screening compound: 2-(4-methylbenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

8755-0189 Screening compound: 2-(4-methylbenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
8755-0189 Screening compound: 2-(4-methylbenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8755-0189
2-(4-methylbenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

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

8755-0189

Molecular Formula

C17H17NO3S (C17 H17 NO3 S)

Compound Name

2-(4-methylbenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

IUPAC name

2-(4-methylbenzamido)-4567-tetrahydro-1-benzothiophene-3-carboxylic acid

SMILES

Cc(cc1)ccc1C(Nc1c(C(O)=O)c(CCCC2)c2s1)=O

InChI

InChI=1S/C17H17NO3S/c1-10-6-8-11(9-7-10)15(19)18-16-14(17(20)21)12-4-2-3-5-13(12)22-16/h6-9H,2-5H2,1H3,(H,18,19)(H,20,21)

InChI Key

OJMANMVCSXEGQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00406497

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.869

Distribution Coefficient, logD

0.561

Water Solubility, LogSw

-4.25

Polar Surface Area

51.453

Acid Dissociation Constant (pKa)

4.09

Base Dissociation Constant (pKb)

-7.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

8755-0189 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Cardiovascular Library (22201 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8755-0189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8755-0189?
Check Price and Availability of 8755-0189, 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 8755-0189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8755-0189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8755-0189
  • 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 8755-0189 available by request