C760-0609 Screening compound: N-benzyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C760-0609 Screening compound: N-benzyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
C760-0609 Screening compound: N-benzyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C760-0609
N-benzyl-6-methyl-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

C760-0609

Molecular Formula

C17H19NOS (C17 H19 NOS)

Compound Name

N-benzyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

IUPAC name

N-benzyl-6-methyl-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

CC(CC1)Cc2c1c(C(NCc1ccccc1)=O)cs2

InChI

InChI=1S/C17H19NOS/c1-12-7-8-14-15(11-20-16(14)9-12)17(19)18-10-13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,18,19)/t12-/m1/s1

InChI Key

SYYIGNAFBODHEU-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD03658066

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

285.41

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.427

Distribution Coefficient, logD

4.427

Water Solubility, LogSw

-4.41

Polar Surface Area

25.591

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

-4.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.29

C760-0609 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C760-0609 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C760-0609?
Check Price and Availability of C760-0609, 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 C760-0609 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C760-0609
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C760-0609
  • 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 C760-0609 available by request