SCHEMBL12616233

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

MedKoo CAT#: 464234

CAS#: 910644-11-0

Description: SCHEMBL12616233 is a novel inhibitor of SARS-CoV-2 main protease (MPro).

Chemical Structure

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SCHEMBL12616233
CAS# 910644-11-0
Instruction

Theoretical Analysis

MedKoo Cat#: 464234
Name: SCHEMBL12616233
CAS#: 910644-11-0
Chemical Formula: C15H21N3O2
Exact Mass: 275.16
Molecular Weight: 275.352
Elemental Analysis: C, 65.43; H, 7.69; N, 15.26; O, 11.62

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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Synonym: SCHEMBL12616233; SCHEMBL 12616233; SCHEMBL-12616233;

IUPAC/Chemical Name: 5-(2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl)pyridin-2(1H)-one

InChi Key: WTVKHMDJVURQCZ-UHFFFAOYSA-N

InChi Code: InChI=1S/C15H21N3O2/c19-14-6-5-12(10-16-14)15(20)18-9-3-4-13(18)11-17-7-1-2-8-17/h5-6,10,13H,1-4,7-9,11H2,(H,16,19)

SMILES Code: O=C1C=CC(C(N2C(CN3CCCC3)CCC2)=O)=CN1

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:

Biological target:
In vitro activity:
In vivo activity:

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
To be determined 0.0 0.00

Preparing Stock Solutions

The following data is based on the product molecular weight 275.35 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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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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.