1207-0097 Screening compound: (5E)-3-methyl-5-[(2-methylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

1207-0097 Screening compound: (5E)-3-methyl-5-[(2-methylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
1207-0097 Screening compound: (5E)-3-methyl-5-[(2-methylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1207-0097
(5E)-3-methyl-5-[(2-methylphenyl)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

1207-0097

Molecular Formula

C12H11NOS2 (C12 H11 NOS2)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(/C=C(\C(N2C)=O)/SC2=S)cccc1

InChI

InChI=1S/C12H11NOS2/c1-8-5-3-4-6-9(8)7-10-11(14)13(2)12(15)16-10/h3-7H,1-2H3

InChI Key

IUQSEAWMZCUHDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00617413

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

249.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.933

Distribution Coefficient, logD

2.933

Water Solubility, LogSw

-3.12

Polar Surface Area

16.480

Acid Dissociation Constant (pKa)

27.63

Base Dissociation Constant (pKb)

-1.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

1207-0097 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 1207-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1207-0097?
Check Price and Availability of 1207-0097, 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 1207-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1207-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1207-0097
  • 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 1207-0097 available by request