8009-5653 Screening compound: 5-{2-[(Z)-1-(3,4-dihydroxyphenyl)ethylidene]hydrazino}-3-(methylsulfanyl)-4-isothiazolecarbonitrile

8009-5653 Screening compound: 5-{2-[(Z)-1-(3,4-dihydroxyphenyl)ethylidene]hydrazino}-3-(methylsulfanyl)-4-isothiazolecarbonitrile
8009-5653 Screening compound: 5-{2-[(Z)-1-(3,4-dihydroxyphenyl)ethylidene]hydrazino}-3-(methylsulfanyl)-4-isothiazolecarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-5653
5-{2-[(Z)-1-(3,4-dihydroxyphenyl)ethylidene]hydrazino}-3-(methylsulfanyl)-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

8009-5653

Molecular Formula

C13H12N4O2S2 (C13 H12 N4 O2 S2)

Compound Name

5-{2-[(Z)-1-(3,4-dihydroxyphenyl)ethylidene]hydrazino}-3-(methylsulfanyl)-4-isothiazolecarbonitrile

IUPAC name

5-[(2Z)-2-[1-(34-dihydroxyphenyl)ethylidene]hydrazin-1-yl]-3-(methylsulfanyl)-12-thiazole-4-carbonitrile

SMILES

C/C(/c(cc1)cc(O)c1O)=N/Nc(snc1SC)c1C#N

InChI

InChI=1S/C13H12N4O2S2/c1-7(8-3-4-10(18)11(19)5-8)15-16-12-9(6-14)13(20-2)17-21-12/h3-5,16,18-19H,1-2H3

InChI Key

UTEALGKOAORRBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01821965

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.806

Distribution Coefficient, logD

2.805

Water Solubility, LogSw

-2.90

Polar Surface Area

80.215

Acid Dissociation Constant (pKa)

9.96

Base Dissociation Constant (pKb)

2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.38

References: we are preparing a list of scientific research reports with 8009-5653 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-5653?
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What is the minimum amount of 8009-5653 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-5653
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-5653
  • 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 8009-5653 available by request