3584-0116 Screening compound: (5E)-3-benzyl-5-[(3-chlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Chemical Structure Depiction of ChemDiv screening compound 3584-0116
(5E)-3-benzyl-5-[(3-chlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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
3584-0116
Molecular Formula
C17H12ClNOS2 (C17 H12 ClNOS2)
Compound Name
(5E)-3-benzyl-5-[(3-chlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
IUPAC name
(5E)-3-benzyl-5-[(3-chlorophenyl)methylidene]-2-sulfanylidene-13-thiazolidin-4-one
SMILES
O=C(/C(/S1)=C\c2cccc(Cl)c2)N(Cc2ccccc2)C1=S
InChI
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
345.87
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
2
Partition Coefficient, logP
4.948
Distribution Coefficient, logD
4.948
Water Solubility, LogSw
-5.07
Polar Surface Area
16.442
Acid Dissociation Constant (pKa)
30.17
Base Dissociation Constant (pKb)
-3.06
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
5.90
3584-0116 in Drug Discovery
Included in Screening Libraries
Antiparasite Library (23996 compounds)
Included in 1.7M Stock Database
- Infections
- Immune system
- animal
- Agro
References: we are preparing a list of scientific research reports with 3584-0116 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.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)