3062-0072 Screening compound: (5Z)-5-{[5-(3-chlorophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
Chemical Structure Depiction of ChemDiv screening compound 3062-0072
(5Z)-5-{[5-(3-chlorophenyl)furan-2-yl]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
3062-0072
Molecular Formula
C14H8ClNO2S2 (C14 H8 ClNO2 S2)
Compound Name
(5Z)-5-{[5-(3-chlorophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
IUPAC name
(5Z)-5-{[5-(3-chlorophenyl)furan-2-yl]methylidene}-2-sulfanylidene-13-thiazolidin-4-one
SMILES
O=C(/C(/S1)=C/c2ccc(-c3cccc(Cl)c3)o2)NC1=S
InChI
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
321.81
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
2.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
3.548
Distribution Coefficient, logD
2.156
Water Solubility, LogSw
-3.89
Polar Surface Area
32.470
Acid Dissociation Constant (pKa)
6.03
Base Dissociation Constant (pKb)
-0.70
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
0.00
3062-0072 in Drug Discovery
Included in Screening Libraries
Antiviral Annotated Library (21441 compounds)
Human Kinases Annotated Library (2415 compounds)
Human Receptors Annotated Library (5376 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with 3062-0072 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)