3232-1214 Screening compound: N-[(5Z)-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide

3232-1214 Screening compound: N-[(5Z)-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide
3232-1214 Screening compound: N-[(5Z)-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3232-1214
N-[(5Z)-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide

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

3232-1214

Molecular Formula

C13H9N3O6S2 (C13 H9 N3 O6 S2)

Compound Name

N-[(5Z)-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide

IUPAC name

N-[(5Z)-5-[(6-nitro-2H-13-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]acetamide

SMILES

CC(NN(C(/C(/S1)=C/c(cc2OCOc2c2)c2[N+]([O-])=O)=O)C1=S)=O

InChI

InChI=1S/C13H9N3O6S2/c1-6(17)14-15-12(18)11(24-13(15)23)3-7-2-9-10(22-5-21-9)4-8(7)16(19)20/h2-4H,5H2,1H3,(H,14,17)

InChI Key

KQWUJSJPHDFKPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01325282

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.36

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.557

Distribution Coefficient, logD

1.556

Water Solubility, LogSw

-2.51

Polar Surface Area

93.210

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

0.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with 3232-1214 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3232-1214?
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What is the minimum amount of 3232-1214 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3232-1214
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3232-1214
  • 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 3232-1214 available by request