5596-0722 Screening compound: 6-methyl-2-(3,4,5-trimethoxybenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

5596-0722 Screening compound: 6-methyl-2-(3,4,5-trimethoxybenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
5596-0722 Screening compound: 6-methyl-2-(3,4,5-trimethoxybenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5596-0722
6-methyl-2-(3,4,5-trimethoxybenzamido)-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

5596-0722

Molecular Formula

C20H23NO6S (C20 H23 NO6 S)

Compound Name

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

IUPAC name

6-methyl-2-(345-trimethoxybenzamido)-4567-tetrahydro-1-benzothiophene-3-carboxylic acid

SMILES

CC(CC1)Cc2c1c(C(O)=O)c(NC(c(cc1OC)cc(OC)c1OC)=O)s2

InChI

InChI=1S/C20H23NO6S/c1-10-5-6-12-15(7-10)28-19(16(12)20(23)24)21-18(22)11-8-13(25-2)17(27-4)14(9-11)26-3/h8-10H,5-7H2,1-4H3,(H,21,22)(H,23,24)/t10-/m1/s1

InChI Key

QECONBDPHOKWPN-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD02329221

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.660

Distribution Coefficient, logD

0.353

Water Solubility, LogSw

-4.19

Polar Surface Area

74.431

Acid Dissociation Constant (pKa)

4.09

Base Dissociation Constant (pKb)

-6.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

5596-0722 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5596-0722 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5596-0722?
Check Price and Availability of 5596-0722, 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 5596-0722 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5596-0722
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5596-0722
  • 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 5596-0722 available by request