3584-0494 Screening compound: 2-methoxy-4-{[(5E)-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl thiophene-2-carboxylate
Chemical Structure Depiction of ChemDiv screening compound 3584-0494
2-methoxy-4-{[(5E)-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl thiophene-2-carboxylate
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
3584-0494
Molecular Formula
C19H15NO4S3 (C19 H15 NO4 S3)
Compound Name
2-methoxy-4-{[(5E)-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl thiophene-2-carboxylate
IUPAC name
2-methoxy-4-{[(5E)-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-13-thiazolidin-5-ylidene]methyl}phenyl thiophene-2-carboxylate
SMILES
COc(cc(/C=C(\C(N1CC=C)=O)/SC1=S)cc1)c1OC(c1cccs1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
417.53
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
4.306
Distribution Coefficient, logD
4.306
Water Solubility, LogSw
-4.53
Polar Surface Area
45.806
Acid Dissociation Constant (pKa)
33.29
Base Dissociation Constant (pKb)
-1.30
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
10.50
3584-0494 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with 3584-0494 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)