0662-1400 Screening compound: (5E)-5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

0662-1400 Screening compound: (5E)-5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
0662-1400 Screening compound: (5E)-5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0662-1400
(5E)-5-[(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

0662-1400

Molecular Formula

C10H6N2O3S2 (C10 H6 N2 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c1cccc(/C=C(\C(N2)=O)/SC2=S)c1)=O

InChI

InChI=1S/C10H6N2O3S2/c13-9-8(17-10(16)11-9)5-6-2-1-3-7(4-6)12(14)15/h1-5H,(H,11,13,16)

InChI Key

AVXJAQDWWJILLN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00188618

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

266.3

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.475

Distribution Coefficient, logD

0.124

Water Solubility, LogSw

-2.49

Polar Surface Area

58.282

Acid Dissociation Constant (pKa)

6.07

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0662-1400 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

Human Proteases Annotated Library (2868 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 0662-1400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0662-1400?
Check Price and Availability of 0662-1400, 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 0662-1400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0662-1400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0662-1400
  • 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 0662-1400 available by request