4098-0323 Screening compound: (5Z)-5-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione

4098-0323 Screening compound: (5Z)-5-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione
4098-0323 Screening compound: (5Z)-5-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4098-0323
(5Z)-5-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione

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

4098-0323

Molecular Formula

C13H10ClNO4S (C13 H10 ClNO4 S)

Compound Name

(5Z)-5-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione

IUPAC name

(5Z)-5-[(6-chloro-2H-13-benzodioxol-5-yl)methylidene]-3-ethyl-13-thiazolidine-24-dione

SMILES

CCN(C(/C(/S1)=C/c(cc2OCOc2c2)c2Cl)=O)C1=O

InChI

InChI=1S/C13H10ClNO4S/c1-2-15-12(16)11(20-13(15)17)4-7-3-9-10(5-8(7)14)19-6-18-9/h3-5H,2,6H2,1H3

InChI Key

BUEOAHBOOSXTKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03030654

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.75

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.468

Distribution Coefficient, logD

3.468

Water Solubility, LogSw

-3.71

Polar Surface Area

46.707

Acid Dissociation Constant (pKa)

28.76

Base Dissociation Constant (pKb)

-2.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

4098-0323 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4098-0323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4098-0323?
Check Price and Availability of 4098-0323, 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 4098-0323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4098-0323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4098-0323
  • 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 4098-0323 available by request