1543-0091 Screening compound: (5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

1543-0091 Screening compound: (5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
1543-0091 Screening compound: (5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1543-0091
(5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

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

1543-0091

Molecular Formula

C10H6N2O4S2 (C10 H6 N2 O4 S2)

Compound Name

(5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-sulfanylidene-13-thiazolidin-4-one

SMILES

[O-][N+](c(cc(/C=C(\C(N1)=O)/SC1=S)cc1)c1O)=O

InChI

InChI=1S/C10H6N2O4S2/c13-7-2-1-5(3-6(7)12(15)16)4-8-9(14)11-10(17)18-8/h1-4,13H,(H,11,14,17)

InChI Key

ZTQRQPGYCKVROX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00851705

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.3

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.468

Distribution Coefficient, logD

0.117

Water Solubility, LogSw

-2.33

Polar Surface Area

74.529

Acid Dissociation Constant (pKa)

6.07

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1543-0091 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Human Kinases Annotated Library (2415 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 1543-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1543-0091?
Check Price and Availability of 1543-0091, 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 1543-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1543-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1543-0091
  • 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 1543-0091 available by request