1611-4727 Screening compound: (5E)-5-{[4-(dimethylamino)phenyl]methylidene}-3-[(furan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Chemical Structure Depiction of ChemDiv screening compound 1611-4727
(5E)-5-{[4-(dimethylamino)phenyl]methylidene}-3-[(furan-2-yl)methyl]-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
1611-4727
Molecular Formula
C17H16N2O2S2 (C17 H16 N2 O2 S2)
Compound Name
(5E)-5-{[4-(dimethylamino)phenyl]methylidene}-3-[(furan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
IUPAC name
(5E)-5-{[4-(dimethylamino)phenyl]methylidene}-3-[(furan-2-yl)methyl]-2-sulfanylidene-13-thiazolidin-4-one
SMILES
CN(C)c1ccc(/C=C(\C(N2Cc3ccco3)=O)/SC2=S)cc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
344.46
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
3.752
Distribution Coefficient, logD
3.752
Water Solubility, LogSw
-3.99
Polar Surface Area
26.996
Acid Dissociation Constant (pKa)
30.86
Base Dissociation Constant (pKb)
3.55
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
17.60
1611-4727 in Drug Discovery
Included in Screening Libraries
Antiviral Annotated Library (21441 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Human GPCR Annotated Library (5539 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 1611-4727 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)