C355-0341 Screening compound: 2-ethoxy-4-{[(6Z)-5-imino-3-methanesulfonyl-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl furan-2-carboxylate
Chemical Structure Depiction of ChemDiv screening compound C355-0341
2-ethoxy-4-{[(6Z)-5-imino-3-methanesulfonyl-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl furan-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
C355-0341
Molecular Formula
C20H16N4O7S2 (C20 H16 N4 O7 S2)
Compound Name
2-ethoxy-4-{[(6Z)-5-imino-3-methanesulfonyl-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl furan-2-carboxylate
IUPAC name
2-ethoxy-4-{[(6Z)-5-imino-3-methanesulfonyl-7-oxo-5H6H7H-[124]thiadiazolo[45-a]pyrimidin-6-ylidene]methyl}phenyl furan-2-carboxylate
SMILES
CCOc(cc(/C=C(/C(N(C(S(C)(=O)=O)=NS1)C1=N1)=N)\C1=O)cc1)c1OC(c1ccco1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
488.5
Hydrogen Bond Acceptors Count
15.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
11
Partition Coefficient, logP
0.877
Distribution Coefficient, logD
0.870
Water Solubility, LogSw
-2.32
Polar Surface Area
117.272
Acid Dissociation Constant (pKa)
24.37
Base Dissociation Constant (pKb)
5.62
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
15.00
C355-0341 in Drug Discovery
Included in Screening Libraries
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 C355-0341 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)