8755-0095 Screening compound: 2-benzamido-4,5-dimethylthiophene-3-carboxylic acid

8755-0095 Screening compound: 2-benzamido-4,5-dimethylthiophene-3-carboxylic acid
8755-0095 Screening compound: 2-benzamido-4,5-dimethylthiophene-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8755-0095
2-benzamido-4,5-dimethylthiophene-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

8755-0095

Molecular Formula

C14H13NO3S (C14 H13 NO3 S)

Compound Name

2-benzamido-4,5-dimethylthiophene-3-carboxylic acid

IUPAC name

2-benzamido-45-dimethylthiophene-3-carboxylic acid

SMILES

Cc1c(C)sc(NC(c2ccccc2)=O)c1C(O)=O

InChI

InChI=1S/C14H13NO3S/c1-8-9(2)19-13(11(8)14(17)18)15-12(16)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,15,16)(H,17,18)

InChI Key

HTBXMKTUPNCXIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00437066

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

275.33

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

2.883

Distribution Coefficient, logD

-0.706

Water Solubility, LogSw

-3.31

Polar Surface Area

51.532

Acid Dissociation Constant (pKa)

3.81

Base Dissociation Constant (pKb)

-6.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

8755-0095 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8755-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8755-0095?
Check Price and Availability of 8755-0095, 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 8755-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8755-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8755-0095
  • 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 8755-0095 available by request