1996-0232 Screening compound: 2-[(5Z)-4-oxo-2-sulfanylidene-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidin-3-yl]acetic acid

1996-0232 Screening compound: 2-[(5Z)-4-oxo-2-sulfanylidene-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidin-3-yl]acetic acid
1996-0232 Screening compound: 2-[(5Z)-4-oxo-2-sulfanylidene-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidin-3-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1996-0232
2-[(5Z)-4-oxo-2-sulfanylidene-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidin-3-yl]acetic acid

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

1996-0232

Molecular Formula

C15H15NO3S2 (C15 H15 NO3 S2)

Compound Name

2-[(5Z)-4-oxo-2-sulfanylidene-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidin-3-yl]acetic acid

IUPAC name

2-[(5Z)-4-oxo-2-sulfanylidene-5-[(246-trimethylphenyl)methylidene]-13-thiazolidin-3-yl]acetic acid

SMILES

Cc1cc(C)c(/C=C(/C(N2CC(O)=O)=O)\SC2=S)c(C)c1

InChI

InChI=1S/C15H15NO3S2/c1-8-4-9(2)11(10(3)5-8)6-12-14(19)16(7-13(17)18)15(20)21-12/h4-6H,7H2,1-3H3,(H,17,18)

InChI Key

IIWGSZYYGUPINA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01152282

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.747

Distribution Coefficient, logD

-0.372

Water Solubility, LogSw

-2.60

Polar Surface Area

45.098

Acid Dissociation Constant (pKa)

4.28

Base Dissociation Constant (pKb)

-4.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

References: we are preparing a list of scientific research reports with 1996-0232 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1996-0232?
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What is the minimum amount of 1996-0232 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1996-0232
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1996-0232
  • 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 1996-0232 available by request