1013-0319 Screening compound: (5E)-5-[(4-methoxyphenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one

1013-0319 Screening compound: (5E)-5-[(4-methoxyphenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
1013-0319 Screening compound: (5E)-5-[(4-methoxyphenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1013-0319
(5E)-5-[(4-methoxyphenyl)methylidene]-3-methyl-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

1013-0319

Molecular Formula

C12H11NO2S2 (C12 H11 NO2 S2)

Compound Name

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

IUPAC name

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

SMILES

CN(C(/C(/S1)=C\c(cc2)ccc2OC)=O)C1=S

InChI

InChI=1S/C12H11NO2S2/c1-13-11(14)10(17-12(13)16)7-8-3-5-9(15-2)6-4-8/h3-7H,1-2H3

InChI Key

FKFMMSOHYHLUCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00451293

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

265.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.456

Distribution Coefficient, logD

2.456

Water Solubility, LogSw

-2.54

Polar Surface Area

24.023

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

1013-0319 in Drug Discovery

Included in Screening Libraries

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 1013-0319 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1013-0319?
Check Price and Availability of 1013-0319, 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 1013-0319 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1013-0319
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1013-0319
  • 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 1013-0319 available by request