3584-0543 Screening compound: 2-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 2-nitrobenzene-1-sulfonate

3584-0543 Screening compound: 2-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 2-nitrobenzene-1-sulfonate
3584-0543 Screening compound: 2-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 2-nitrobenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3584-0543
2-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 2-nitrobenzene-1-sulfonate

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

3584-0543

Molecular Formula

C16H10N2O6S3 (C16 H10 N2 O6 S3)

Compound Name

2-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 2-nitrobenzene-1-sulfonate

IUPAC name

2-{[(5Z)-4-oxo-2-sulfanylidene-13-thiazolidin-5-ylidene]methyl}phenyl 2-nitrobenzene-1-sulfonate

SMILES

[O-][N+](c(cccc1)c1S(Oc1c(/C=C(/C(N2)=O)\SC2=S)cccc1)(=O)=O)=O

InChI

InChI=1S/C16H10N2O6S3/c19-15-13(26-16(25)17-15)9-10-5-1-3-7-12(10)24-27(22,23)14-8-4-2-6-11(14)18(20)21/h1-9H,(H,17,19,25)

InChI Key

ZASGFBMVJZMFGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03227753

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.46

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.160

Distribution Coefficient, logD

1.093

Water Solubility, LogSw

-2.81

Polar Surface Area

93.829

Acid Dissociation Constant (pKa)

6.37

Base Dissociation Constant (pKb)

-1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3584-0543 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

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 3584-0543 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3584-0543?
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What is the minimum amount of 3584-0543 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3584-0543
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3584-0543
  • 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 3584-0543 available by request