Y070-0794 Screening compound: 3-{5-[(Z)-1-(2,3-dimethoxyphenyl)methylidene]-4-oxo-2-thioxo-1,3-thiazolan-3-yl}tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

Y070-0794 Screening compound: 3-{5-[(Z)-1-(2,3-dimethoxyphenyl)methylidene]-4-oxo-2-thioxo-1,3-thiazolan-3-yl}tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
Y070-0794 Screening compound: 3-{5-[(Z)-1-(2,3-dimethoxyphenyl)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 Y070-0794
3-{5-[(Z)-1-(2,3-dimethoxyphenyl)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

Y070-0794

Molecular Formula

C16H17NO5S3 (C16 H17 NO5 S3)

Compound Name

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

IUPAC name

3-[(5Z)-5-[(23-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]-1lambda6-thiolane-11-dione

SMILES

COc1cccc(/C=C(/C(N2C(CC3)CS3(=O)=O)=O)\SC2=S)c1OC

InChI

InChI=1S/C16H17NO5S3/c1-21-12-5-3-4-10(14(12)22-2)8-13-15(18)17(16(23)24-13)11-6-7-25(19,20)9-11/h3-5,8,11H,6-7,9H2,1-2H3/t11-/m1/s1

InChI Key

LZEPYXDDHUOUAX-LLVKDONJSA-N

MDL Number (MFCD)

MFCD03212169

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.633

Distribution Coefficient, logD

1.633

Water Solubility, LogSw

-2.26

Polar Surface Area

59.449

Acid Dissociation Constant (pKa)

20.41

Base Dissociation Constant (pKb)

-4.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with Y070-0794 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 Y070-0794
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-0794
  • 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 Y070-0794 available by request