C760-0620 Screening compound: N-[2-(4-chlorophenyl)ethyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C760-0620 Screening compound: N-[2-(4-chlorophenyl)ethyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
C760-0620 Screening compound: N-[2-(4-chlorophenyl)ethyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C760-0620
N-[2-(4-chlorophenyl)ethyl]-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

C760-0620

Molecular Formula

C18H20ClNOS (C18 H20 ClNOS)

Compound Name

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

IUPAC name

N-[2-(4-chlorophenyl)ethyl]-6-methyl-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

CC(CC1)Cc2c1c(C(NCCc(cc1)ccc1Cl)=O)cs2

InChI

InChI=1S/C18H20ClNOS/c1-12-2-7-15-16(11-22-17(15)10-12)18(21)20-9-8-13-3-5-14(19)6-4-13/h3-6,11-12H,2,7-10H2,1H3,(H,20,21)/t12-/m1/s1

InChI Key

LSNMQFZCCJZERI-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD14791960

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.88

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.955

Distribution Coefficient, logD

4.955

Water Solubility, LogSw

-4.89

Polar Surface Area

25.432

Acid Dissociation Constant (pKa)

13.72

Base Dissociation Constant (pKb)

-2.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

C760-0620 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C760-0620 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C760-0620?
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What is the minimum amount of C760-0620 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C760-0620
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C760-0620
  • 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 C760-0620 available by request