8007-4223 Screening compound: 3-(methylsulfanyl)-5-{2-[(E)-1-phenylmethylidene]hydrazino}-4-isothiazolecarbonitrile

8007-4223 Screening compound: 3-(methylsulfanyl)-5-{2-[(E)-1-phenylmethylidene]hydrazino}-4-isothiazolecarbonitrile
8007-4223 Screening compound: 3-(methylsulfanyl)-5-{2-[(E)-1-phenylmethylidene]hydrazino}-4-isothiazolecarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-4223
3-(methylsulfanyl)-5-{2-[(E)-1-phenylmethylidene]hydrazino}-4-isothiazolecarbonitrile

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

8007-4223

Molecular Formula

C12H10N4S2 (C12 H10 N4 S2)

Compound Name

3-(methylsulfanyl)-5-{2-[(E)-1-phenylmethylidene]hydrazino}-4-isothiazolecarbonitrile

IUPAC name

3-(methylsulfanyl)-5-[(2E)-2-(phenylmethylidene)hydrazin-1-yl]-12-thiazole-4-carbonitrile

SMILES

CSc1nsc(N/N=C/c2ccccc2)c1C#N

InChI

InChI=1S/C12H10N4S2/c1-17-12-10(7-13)11(18-16-12)15-14-8-9-5-3-2-4-6-9/h2-6,8,15H,1H3

InChI Key

YNXXZBNTXUOQST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01239802

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

274.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.386

Distribution Coefficient, logD

3.386

Water Solubility, LogSw

-3.76

Polar Surface Area

47.831

Acid Dissociation Constant (pKa)

11.47

Base Dissociation Constant (pKb)

2.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.33

8007-4223 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8007-4223 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-4223?
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What is the minimum amount of 8007-4223 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-4223
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-4223
  • 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 8007-4223 available by request