8003-4380 Screening compound: 2-[(E)-[(2-iodophenyl)methylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

8003-4380 Screening compound: 2-[(E)-[(2-iodophenyl)methylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
8003-4380 Screening compound: 2-[(E)-[(2-iodophenyl)methylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-4380
2-[(E)-[(2-iodophenyl)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

8003-4380

Molecular Formula

C16H13IN2S (C16 H13 IN2 S)

Compound Name

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

IUPAC name

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

SMILES

N#Cc1c(/N=C/c(cccc2)c2I)sc2c1CCCC2

InChI

InChI=1S/C16H13IN2S/c17-14-7-3-1-5-11(14)10-19-16-13(9-18)12-6-2-4-8-15(12)20-16/h1,3,5,7,10H,2,4,6,8H2

InChI Key

SBOZEJLRBLUKQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00743790

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.26

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

5.006

Distribution Coefficient, logD

5.006

Water Solubility, LogSw

-4.94

Polar Surface Area

25.137

Acid Dissociation Constant (pKa)

26.03

Base Dissociation Constant (pKb)

0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8003-4380 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 8003-4380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-4380?
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What is the minimum amount of 8003-4380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-4380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-4380
  • 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 8003-4380 available by request