8018-3357 Screening compound: 2-[(5-butyl-4-methyl-1H-imidazol-2-yl)sulfanyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide

8018-3357 Screening compound: 2-[(5-butyl-4-methyl-1H-imidazol-2-yl)sulfanyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
8018-3357 Screening compound: 2-[(5-butyl-4-methyl-1H-imidazol-2-yl)sulfanyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-3357
2-[(5-butyl-4-methyl-1H-imidazol-2-yl)sulfanyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide

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

8018-3357

Molecular Formula

C19H24N4OS2 (C19 H24 N4 OS2)

Compound Name

2-[(5-butyl-4-methyl-1H-imidazol-2-yl)sulfanyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide

IUPAC name

2-[(5-butyl-4-methyl-1H-imidazol-2-yl)sulfanyl]-N-(3-cyano-4567-tetrahydro-1-benzothiophen-2-yl)acetamide

SMILES

CCCCc([nH]1)c(C)nc1SCC(Nc(sc1c2CCCC1)c2C#N)=O

InChI

InChI=1S/C19H24N4OS2/c1-3-4-8-15-12(2)21-19(22-15)25-11-17(24)23-18-14(10-20)13-7-5-6-9-16(13)26-18/h3-9,11H2,1-2H3,(H,21,22)(H,23,24)

InChI Key

KVOSNUYFHXVFPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07658051

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.088

Distribution Coefficient, logD

3.056

Water Solubility, LogSw

-4.07

Polar Surface Area

60.042

Acid Dissociation Constant (pKa)

6.41

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.60

8018-3357 in Drug Discovery

Included in Screening Libraries

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8018-3357 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-3357?
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What is the minimum amount of 8018-3357 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-3357
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-3357
  • 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 8018-3357 available by request