C760-0418 Screening compound: N-[2-(4-sulfamoylphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C760-0418 Screening compound: N-[2-(4-sulfamoylphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
C760-0418 Screening compound: N-[2-(4-sulfamoylphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C760-0418
N-[2-(4-sulfamoylphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-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

C760-0418

Molecular Formula

C17H20N2O3S2 (C17 H20 N2 O3 S2)

Compound Name

N-[2-(4-sulfamoylphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

IUPAC name

N-[2-(4-sulfamoylphenyl)ethyl]-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

NS(c1ccc(CCNC(c2csc3c2CCCC3)=O)cc1)(=O)=O

InChI

InChI=1S/C17H20N2O3S2/c18-24(21,22)13-7-5-12(6-8-13)9-10-19-17(20)15-11-23-16-4-2-1-3-14(15)16/h5-8,11H,1-4,9-10H2,(H,19,20)(H2,18,21,22)

InChI Key

PHLAHZIXMWDLPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06367541

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.287

Distribution Coefficient, logD

2.286

Water Solubility, LogSw

-2.91

Polar Surface Area

76.035

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

-2.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

C760-0418 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C760-0418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C760-0418?
Check Price and Availability of C760-0418, 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 C760-0418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C760-0418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C760-0418
  • 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 C760-0418 available by request