C760-0784 Screening compound: N-[3-(cyclohexylsulfanyl)propyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C760-0784 Screening compound: N-[3-(cyclohexylsulfanyl)propyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
C760-0784 Screening compound: N-[3-(cyclohexylsulfanyl)propyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C760-0784
N-[3-(cyclohexylsulfanyl)propyl]-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

C760-0784

Molecular Formula

C19H29NOS2 (C19 H29 NOS2)

Compound Name

N-[3-(cyclohexylsulfanyl)propyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

IUPAC name

N-[3-(cyclohexylsulfanyl)propyl]-6-methyl-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

CC(CC1)Cc2c1c(C(NCCCSC1CCCCC1)=O)cs2

InChI

InChI=1S/C19H29NOS2/c1-14-8-9-16-17(13-23-18(16)12-14)19(21)20-10-5-11-22-15-6-3-2-4-7-15/h13-15H,2-12H2,1H3,(H,20,21)/t14-/m1/s1

InChI Key

KZQMZSIBQRFORN-CQSZACIVSA-N

MDL Number (MFCD)

MFCD14791983

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.58

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.444

Distribution Coefficient, logD

5.444

Water Solubility, LogSw

-5.13

Polar Surface Area

25.624

Acid Dissociation Constant (pKa)

14.85

Base Dissociation Constant (pKb)

-1.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

73.70

C760-0784 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C760-0784 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C760-0784?
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What is the minimum amount of C760-0784 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C760-0784
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C760-0784
  • 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 C760-0784 available by request