8007-2572 Screening compound: 2-{[(E)-1-(2,4-dichlorophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophen-3-yl cyanide

8007-2572 Screening compound: 2-{[(E)-1-(2,4-dichlorophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophen-3-yl cyanide
8007-2572 Screening compound: 2-{[(E)-1-(2,4-dichlorophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophen-3-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-2572
2-{[(E)-1-(2,4-dichlorophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophen-3-yl cyanide

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

8007-2572

Molecular Formula

C16H12Cl2N2S (C16 H12 Cl2 N2 S)

Compound Name

2-{[(E)-1-(2,4-dichlorophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophen-3-yl cyanide

IUPAC name

2-[(E)-[(24-dichlorophenyl)methylidene]amino]-4567-tetrahydro-1-benzothiophene-3-carbonitrile

SMILES

N#Cc1c(/N=C/c(ccc(Cl)c2)c2Cl)sc2c1CCCC2

InChI

InChI=1S/C16H12Cl2N2S/c17-11-6-5-10(14(18)7-11)9-20-16-13(8-19)12-3-1-2-4-15(12)21-16/h5-7,9H,1-4H2

InChI Key

CTFPAGMFLBKWLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00815606

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

5.762

Distribution Coefficient, logD

5.762

Water Solubility, LogSw

-6.47

Polar Surface Area

25.137

Acid Dissociation Constant (pKa)

26.03

Base Dissociation Constant (pKb)

0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8007-2572 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8007-2572 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8007-2572 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-2572
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-2572
  • 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 8007-2572 available by request