8008-2651 Screening compound: 2-[(E)-[(3,5-dichloro-2-hydroxyphenyl)methylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

8008-2651 Screening compound: 2-[(E)-[(3,5-dichloro-2-hydroxyphenyl)methylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
8008-2651 Screening compound: 2-[(E)-[(3,5-dichloro-2-hydroxyphenyl)methylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-2651
2-[(E)-[(3,5-dichloro-2-hydroxyphenyl)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

8008-2651

Molecular Formula

C16H12Cl2N2OS (C16 H12 Cl2 N2 OS)

Compound Name

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

IUPAC name

2-[(E)-[(35-dichloro-2-hydroxyphenyl)methylidene]amino]-4567-tetrahydro-1-benzothiophene-3-carbonitrile

SMILES

N#Cc1c(/N=C/c2cc(Cl)cc(Cl)c2O)sc2c1CCCC2

InChI

InChI=1S/C16H12Cl2N2OS/c17-10-5-9(15(21)13(18)6-10)8-20-16-12(7-19)11-3-1-2-4-14(11)22-16/h5-6,8,21H,1-4H2

InChI Key

KHWNAJMRMRZOLM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01147662

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.26

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.464

Distribution Coefficient, logD

5.297

Water Solubility, LogSw

-5.83

Polar Surface Area

40.616

Acid Dissociation Constant (pKa)

7.73

Base Dissociation Constant (pKb)

0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8008-2651 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8008-2651 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-2651?
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What is the minimum amount of 8008-2651 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-2651
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-2651
  • 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 8008-2651 available by request