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MedKoo Cat#: 464235 | Name: SCHEMBL18616095

Description:

WARNING: This product is for research use only, not for human or veterinary use.

SCHEMBL18616095 is a novel inhibitor of SARS-CoV-2 main protease (MPro).

Chemical Structure

SCHEMBL18616095
SCHEMBL18616095
CAS#unknown

Theoretical Analysis

MedKoo Cat#: 464235

Name: SCHEMBL18616095

CAS#: unknown

Chemical Formula: C12H15N3O3

Exact Mass: 249.1113

Molecular Weight: 249.27

Elemental Analysis: C, 57.82; H, 6.07; N, 16.86; O, 19.26

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
Bulk Inquiry
Related CAS #
No Data
Synonym
SCHEMBL18616095; SCHEMBL 18616095; SCHEMBL-18616095;
IUPAC/Chemical Name
N3-methyl-N5-((1R,2R)-2-methylcyclopropyl)-2-oxo-1,2-dihydropyridine-3,5-dicarboxamide
InChi Key
QCNUMPTZOGRMJJ-HZGVNTEJSA-N
InChi Code
InChI=1S/C12H15N3O3/c1-6-3-9(6)15-10(16)7-4-8(11(17)13-2)12(18)14-5-7/h4-6,9H,3H2,1-2H3,(H,13,17)(H,14,18)(H,15,16)/t6-,9-/m1/s1
SMILES Code
O=C(C1=CC(C(N[C@H]2[C@H](C)C2)=O)=CNC1=O)NC
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info
Solvent mg/mL mM
Solubility
To be determined 0.0 0.00
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 249.27 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Ahmad S, Waheed Y, Ismail S, Najmi MH, Ansari JK. Rational design of potent anti-COVID-19 main protease drugs: An extensive multi-spectrum in silico approach. J Mol Liq. 2021 May 15;330:115636. doi: 10.1016/j.molliq.2021.115636. Epub 2021 Feb 12. PMID: 33612899; PMCID: PMC7879066.

View History

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