3643-0621 Screening compound: 3-[(5Z)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-cyclohexylpropanamide

3643-0621 Screening compound: 3-[(5Z)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-cyclohexylpropanamide
3643-0621 Screening compound: 3-[(5Z)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-cyclohexylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3643-0621
3-[(5Z)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-cyclohexylpropanamide

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

3643-0621

Molecular Formula

C20H22N2O4S2 (C20 H22 N2 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCN(C(/C(/S1)=C/c(cc2)cc3c2OCO3)=O)C1=S)NC1CCCCC1

InChI

InChI=1S/C20H22N2O4S2/c23-18(21-14-4-2-1-3-5-14)8-9-22-19(24)17(28-20(22)27)11-13-6-7-15-16(10-13)26-12-25-15/h6-7,10-11,14H,1-5,8-9,12H2,(H,21,23)

InChI Key

ZRZADLYHITXNCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02078570

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.793

Distribution Coefficient, logD

3.793

Water Solubility, LogSw

-3.96

Polar Surface Area

57.733

Acid Dissociation Constant (pKa)

15.14

Base Dissociation Constant (pKb)

0.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

References: we are preparing a list of scientific research reports with 3643-0621 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3643-0621?
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What is the minimum amount of 3643-0621 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3643-0621
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3643-0621
  • 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 3643-0621 available by request