3643-0569 Screening compound: 3-[(5Z)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(3-methoxyphenyl)propanamide

3643-0569 Screening compound: 3-[(5Z)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(3-methoxyphenyl)propanamide
3643-0569 Screening compound: 3-[(5Z)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(3-methoxyphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3643-0569
3-[(5Z)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(3-methoxyphenyl)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

3643-0569

Molecular Formula

C21H18N2O5S2 (C21 H18 N2 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(NC(CCN(C(/C(/S2)=C/c(cc3)cc4c3OCO4)=O)C2=S)=O)c1

InChI

InChI=1S/C21H18N2O5S2/c1-26-15-4-2-3-14(11-15)22-19(24)7-8-23-20(25)18(30-21(23)29)10-13-5-6-16-17(9-13)28-12-27-16/h2-6,9-11H,7-8,12H2,1H3,(H,22,24)

InChI Key

QAQDHXALZRBWSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01946102

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.815

Distribution Coefficient, logD

3.815

Water Solubility, LogSw

-4.08

Polar Surface Area

64.229

Acid Dissociation Constant (pKa)

11.20

Base Dissociation Constant (pKb)

-0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with 3643-0569 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3643-0569?
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What is the minimum amount of 3643-0569 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3643-0569
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3643-0569
  • 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 3643-0569 available by request