8008-5765 Screening compound: 3-(methylsulfanyl)-5-{2-[(E)-1-(4-nitrophenyl)methylidene]hydrazino}-4-isothiazolecarbonitrile

8008-5765 Screening compound: 3-(methylsulfanyl)-5-{2-[(E)-1-(4-nitrophenyl)methylidene]hydrazino}-4-isothiazolecarbonitrile
8008-5765 Screening compound: 3-(methylsulfanyl)-5-{2-[(E)-1-(4-nitrophenyl)methylidene]hydrazino}-4-isothiazolecarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-5765
3-(methylsulfanyl)-5-{2-[(E)-1-(4-nitrophenyl)methylidene]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

8008-5765

Molecular Formula

C12H9N5O2S2 (C12 H9 N5 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CSc1nsc(N/N=C/c(cc2)ccc2[N+]([O-])=O)c1C#N

InChI

InChI=1S/C12H9N5O2S2/c1-20-12-10(6-13)11(21-16-12)15-14-7-8-2-4-9(5-3-8)17(18)19/h2-5,7,15H,1H3

InChI Key

FNEBIYDZOKBWIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01305448

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.307

Distribution Coefficient, logD

3.307

Water Solubility, LogSw

-3.72

Polar Surface Area

81.212

Acid Dissociation Constant (pKa)

11.47

Base Dissociation Constant (pKb)

2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.33

References: we are preparing a list of scientific research reports with 8008-5765 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-5765?
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What is the minimum amount of 8008-5765 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-5765
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-5765
  • 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 8008-5765 available by request