3584-0234 Screening compound: 2-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl benzenesulfonate

3584-0234 Screening compound: 2-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl benzenesulfonate
3584-0234 Screening compound: 2-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl benzenesulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3584-0234
2-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl benzenesulfonate

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

3584-0234

Molecular Formula

C16H11NO4S3 (C16 H11 NO4 S3)

Compound Name

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

IUPAC name

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

SMILES

O=C(/C(/S1)=C/c(cccc2)c2OS(c2ccccc2)(=O)=O)NC1=S

InChI

InChI=1S/C16H11NO4S3/c18-15-14(23-16(22)17-15)10-11-6-4-5-9-13(11)21-24(19,20)12-7-2-1-3-8-12/h1-10H,(H,17,18,22)

InChI Key

TUGVKJVFOHWGLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03227752

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.457

Distribution Coefficient, logD

1.390

Water Solubility, LogSw

-2.92

Polar Surface Area

60.748

Acid Dissociation Constant (pKa)

6.37

Base Dissociation Constant (pKb)

-1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3584-0234 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3584-0234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3584-0234?
Check Price and Availability of 3584-0234, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3584-0234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3584-0234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3584-0234
  • 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 3584-0234 available by request