3643-0610 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-3-[(5Z)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide

3643-0610 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-3-[(5Z)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide
3643-0610 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-3-[(5Z)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3643-0610
N-(2H-1,3-benzodioxol-5-yl)-3-[(5Z)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide

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

3643-0610

Molecular Formula

C21H16N2O6S2 (C21 H16 N2 O6 S2)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-3-[(5Z)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-3-[(5Z)-5-[(2H-13-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]propanamide

SMILES

O=C(CCN(C(/C(/S1)=C/c(cc2)cc3c2OCO3)=O)C1=S)Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C21H16N2O6S2/c24-19(22-13-2-4-15-17(9-13)29-11-27-15)5-6-23-20(25)18(31-21(23)30)8-12-1-3-14-16(7-12)28-10-26-14/h1-4,7-9H,5-6,10-11H2,(H,22,24)

InChI Key

RCFDVWOIBCWXLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02078559

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.581

Distribution Coefficient, logD

3.581

Water Solubility, LogSw

-3.83

Polar Surface Area

73.801

Acid Dissociation Constant (pKa)

10.88

Base Dissociation Constant (pKb)

-0.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

3643-0610 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 3643-0610 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3643-0610?
Check Price and Availability of 3643-0610, 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 3643-0610 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3643-0610
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3643-0610
  • 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 3643-0610 available by request