3453-1652 Screening compound: methyl 2-[(5E)-5-[(furan-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate

3453-1652 Screening compound: methyl 2-[(5E)-5-[(furan-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate
3453-1652 Screening compound: methyl 2-[(5E)-5-[(furan-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3453-1652
methyl 2-[(5E)-5-[(furan-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate

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

3453-1652

Molecular Formula

C11H9NO4S2 (C11 H9 NO4 S2)

Compound Name

methyl 2-[(5E)-5-[(furan-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate

IUPAC name

methyl 2-[(5E)-5-[(furan-2-yl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]acetate

SMILES

COC(CN(C(/C(/S1)=C\c2ccco2)=O)C1=S)=O

InChI

InChI=1S/C11H9NO4S2/c1-15-9(13)6-12-10(14)8(18-11(12)17)5-7-3-2-4-16-7/h2-5H,6H2,1H3

InChI Key

UPFZYXWYLMXCDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02216683

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.33

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.566

Distribution Coefficient, logD

1.566

Water Solubility, LogSw

-2.12

Polar Surface Area

45.042

Acid Dissociation Constant (pKa)

24.67

Base Dissociation Constant (pKb)

-2.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with 3453-1652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3453-1652?
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What is the minimum amount of 3453-1652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3453-1652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3453-1652
  • 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 3453-1652 available by request