1786-0058 Screening compound: 2-[(E)-[(3-methylthiophen-2-yl)methylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

1786-0058 Screening compound: 2-[(E)-[(3-methylthiophen-2-yl)methylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
1786-0058 Screening compound: 2-[(E)-[(3-methylthiophen-2-yl)methylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1786-0058
2-[(E)-[(3-methylthiophen-2-yl)methylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

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

1786-0058

Molecular Formula

C15H14N2S2 (C15 H14 N2 S2)

Compound Name

2-[(E)-[(3-methylthiophen-2-yl)methylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

IUPAC name

2-[(E)-[(3-methylthiophen-2-yl)methylidene]amino]-4567-tetrahydro-1-benzothiophene-3-carbonitrile

SMILES

Cc1c(/C=N/c(sc2c3CCCC2)c3C#N)scc1

InChI

InChI=1S/C15H14N2S2/c1-10-6-7-18-14(10)9-17-15-12(8-16)11-4-2-3-5-13(11)19-15/h6-7,9H,2-5H2,1H3

InChI Key

MWMOPMXVZIDAKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00828094

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.42

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.540

Distribution Coefficient, logD

4.540

Water Solubility, LogSw

-4.51

Polar Surface Area

26.155

Acid Dissociation Constant (pKa)

26.03

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

1786-0058 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 1786-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1786-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1786-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1786-0058
  • 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 1786-0058 available by request