1503-0937 Screening compound: 3-{5-[(E)-1-(1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolan-3-yl}tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

1503-0937 Screening compound: 3-{5-[(E)-1-(1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolan-3-yl}tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
1503-0937 Screening compound: 3-{5-[(E)-1-(1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolan-3-yl}tetrahydro-1H-1lambda~6~-thiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 1503-0937
3-{5-[(E)-1-(1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolan-3-yl}tetrahydro-1H-1lambda~6~-thiophene-1,1-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

1503-0937

Molecular Formula

C15H13NO5S3 (C15 H13 NO5 S3)

Compound Name

3-{5-[(E)-1-(1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolan-3-yl}tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

IUPAC name

3-[(5E)-5-[(2H-13-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]-1lambda6-thiolane-11-dione

SMILES

O=C(/C(/S1)=C\c(cc2)cc3c2OCO3)N(C(CC2)CS2(=O)=O)C1=S

InChI

InChI=1S/C15H13NO5S3/c17-14-13(6-9-1-2-11-12(5-9)21-8-20-11)23-15(22)16(14)10-3-4-24(18,19)7-10/h1-2,5-6,10H,3-4,7-8H2/t10-/m1/s1

InChI Key

JOHPEERTXUBDMR-SNVBAGLBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.602

Distribution Coefficient, logD

1.602

Water Solubility, LogSw

-2.35

Polar Surface Area

61.217

Acid Dissociation Constant (pKa)

20.41

Base Dissociation Constant (pKb)

-4.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 1503-0937 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1503-0937
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1503-0937
  • 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 1503-0937 available by request