0831-0606 Screening compound: 2-(2-methoxybenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

0831-0606 Screening compound: 2-(2-methoxybenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
0831-0606 Screening compound: 2-(2-methoxybenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0831-0606
2-(2-methoxybenzamido)-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

0831-0606

Molecular Formula

C17H17NO4S (C17 H17 NO4 S)

Compound Name

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

IUPAC name

2-(2-methoxybenzamido)-4567-tetrahydro-1-benzothiophene-3-carboxylic acid

SMILES

COc(cccc1)c1C(Nc1c(C(O)=O)c(CCCC2)c2s1)=O

InChI

InChI=1S/C17H17NO4S/c1-22-12-8-4-2-6-10(12)15(19)18-16-14(17(20)21)11-7-3-5-9-13(11)23-16/h2,4,6,8H,3,5,7,9H2,1H3,(H,18,19)(H,20,21)

InChI Key

ZMEXXPATMLXQNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00394979

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.271

Distribution Coefficient, logD

-1.109

Water Solubility, LogSw

-3.81

Polar Surface Area

59.083

Acid Dissociation Constant (pKa)

3.02

Base Dissociation Constant (pKb)

-6.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

0831-0606 in Drug Discovery

Included in Screening Libraries

Proline Kinase Library (2105 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Kinases
  • GPCR
  • Phosphatases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 0831-0606 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0831-0606?
Check Price and Availability of 0831-0606, 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 0831-0606 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0831-0606
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0831-0606
  • 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 0831-0606 available by request