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FWM-5

CAT: 0804-HY-144798Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-144798Size:1 Each
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Description
FWM-5 is a potent NSP13 helicase inhibitor. SARS-COV-2 NSP13 helicase enzyme plays crucial role in the virus life cycle. FWM-5 has the potential for the research of infection diseases[1].
CAS Number
2757194-04-8
UNSPSC
12352005
Target
SARS-CoV
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-anti-virus
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/fwm-5.html
Solubility
10 mM in DMSO
Smiles
O=C1NC(NC(O)=C1[C@@H]2C3=CC=CC=C3OC4=NC(NC(O)=C42)=S)=S
Molecular Formula
C15H10N4O4S2
Molecular Weight
374.39
References & Citations
[1]El Hassab MA, Eldehna WM, Al-Rashood ST, et al. Multi-stage structure-based virtual screening approach towards identification of potential SARS-CoV-2 NSP13 helicase inhibitors. J Enzyme Inhib Med Chem. 2022;37 (1) :563-572.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(5S)-5-(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-2-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidin-4-one
CAS Number2757194-04-8
PubChem CID27603613
IUPAC Name(5S)-5-(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-2-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidin-4-one
Molecular FormulaC15H10N4O4S2
Molecular Weight374.4
XLogP0.4
Topological Polar Surface Area176
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count25
Formal Charge0
Complexity775
SMILES
C1=CC=C2C(=C1)[C@H](C3=C(O2)NC(=S)NC3=O)C4=C(NC(=S)NC4=O)O
InChI
InChI=1S/C15H10N4O4S2/c20-10-8(11(21)17-14(24)16-10)7-5-3-1-2-4-6(5)23-13-9(7)12(22)18-15(25)19-13/h1-4,7H,(H2,18,19,22,25)(H3,16,17,20,21,24)/t7-/m0/s1
InChIKey
ADQXQWAHYSOCCX-ZETCQYMHSA-N
Chemical Structure
2D Structure
2D structure of (5S)-5-(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-2-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidin-4-one
CAS: 2757194-04-8
CID: 27603613
Formula: C15H10N4O4S2
MW: 374.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight374.4
XLogP30.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass374.01434716
Monoisotopic Mass374.01434716
Topological Polar Surface Area176 Ų
Heavy Atom Count25
Formal Charge0
Complexity775
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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