2531-0025 Screening compound: (5E)-5-{[2-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylidene}-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one

2531-0025 Screening compound: (5E)-5-{[2-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylidene}-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
2531-0025 Screening compound: (5E)-5-{[2-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylidene}-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2531-0025
(5E)-5-{[2-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylidene}-3-ethyl-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

2531-0025

Molecular Formula

C19H15N3O7S2 (C19 H15 N3 O7 S2)

Compound Name

(5E)-5-{[2-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylidene}-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5E)-5-{[2-(24-dinitrophenoxy)-3-methoxyphenyl]methylidene}-3-ethyl-2-sulfanylidene-13-thiazolidin-4-one

SMILES

CCN(C(/C(/S1)=C\c(cccc2OC)c2Oc(ccc([N+]([O-])=O)c2)c2[N+]([O-])=O)=O)C1=S

InChI

InChI=1S/C19H15N3O7S2/c1-3-20-18(23)16(31-19(20)30)9-11-5-4-6-15(28-2)17(11)29-14-8-7-12(21(24)25)10-13(14)22(26)27/h4-10H,3H2,1-2H3

InChI Key

LGCMVDLTQWHUBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01590294

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.48

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.135

Distribution Coefficient, logD

4.135

Water Solubility, LogSw

-4.49

Polar Surface Area

97.539

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

2531-0025 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

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 2531-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2531-0025?
Check Price and Availability of 2531-0025, 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 2531-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2531-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2531-0025
  • 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 2531-0025 available by request