1786-0064 Screening compound: 2-[(E)-[(2,6-dichlorophenyl)methylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

1786-0064 Screening compound: 2-[(E)-[(2,6-dichlorophenyl)methylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
1786-0064 Screening compound: 2-[(E)-[(2,6-dichlorophenyl)methylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1786-0064
2-[(E)-[(2,6-dichlorophenyl)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

1786-0064

Molecular Formula

C16H12Cl2N2S (C16 H12 Cl2 N2 S)

Compound Name

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

IUPAC name

2-[(E)-[(26-dichlorophenyl)methylidene]amino]-4567-tetrahydro-1-benzothiophene-3-carbonitrile

SMILES

N#Cc1c(/N=C/c(c(Cl)ccc2)c2Cl)sc2c1CCCC2

InChI

InChI=1S/C16H12Cl2N2S/c17-13-5-3-6-14(18)12(13)9-20-16-11(8-19)10-4-1-2-7-15(10)21-16/h3,5-6,9H,1-2,4,7H2

InChI Key

OHBRFMPVTIBIJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00815658

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.26

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

4.727

Distribution Coefficient, logD

4.727

Water Solubility, LogSw

-5.20

Polar Surface Area

25.137

Acid Dissociation Constant (pKa)

26.03

Base Dissociation Constant (pKb)

-0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

1786-0064 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Covalent Inhibitors Library (7986 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
Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 1786-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1786-0064?
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What is the minimum amount of 1786-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1786-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1786-0064
  • 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 1786-0064 available by request