SCHEMBL12616233
SCHEMBL12616233 is a SARS-CoV-2 main protease (MPro) inhibitor. SCHEMBL12616233 binds to the active cavity of SARS-CoV-2 MPro and forms a stable complex. SCHEMBL12616233 can be used for the research of covid-19.
For research use only. We do not sell to patients.
- CAS No.: 910644-11-0
- Formula: C15H21N3O2
- Molecular Weight:275.35
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Storage:
Please store the product under the recommended conditions in the Certificate of Analysis.
To place orders, for customer services and technical support, please contact: MedChemExpress USA
Tel: 609-228-6898 E-mail: [email protected] [email protected]
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Biological Activity
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Chemical Information
- Purity & Documentation
- References
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Help & FAQs
Biological Activity
SCHEMBL12616233 binds to the active site of SARS-CoV-2 MPro with a binding affinity of −9.5 kcal/mol via a network of hydrogen and hydrophobic interactions[1].
SCHEMBL12616233 forms a stable complex with SARS-CoV-2 MPro, with a net binding free energy of −22.54 kcal/mol and average absolute binding free energy of −16.02 kcal/mol, stabilized by interactions with 8 hotspot active site residues[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Chemical Information
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CAS No. 910644-11-0
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Molecular Weight 275.35
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Formula C15H21N3O2
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SMILES
O=C1C=CC(C(N2CCCC2CN3CCCC3)=O)=CN1
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Shipping
Room temperature in continental US; may vary elsewhere.
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Storage
Please store the product under the recommended conditions in the Certificate of Analysis.
Purity & Documentation
References
Calculators
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
SCHEMBL12616233 Related Classifications
HY-183661 Related Classifications
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