SCHEMBL20148701 | CAS#unknown | SARS-CoV-2 MPro inhibitor

MedKoo Cat#: 464236 | Name: SCHEMBL20148701

Description:

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

SCHEMBL20148701 is a novel inhibitor of SARS-CoV-2 main protease (MPro).

Chemical Structure

SCHEMBL20148701

CAS#unknown

Theoretical Analysis

MedKoo Cat#: 464236

Name: SCHEMBL20148701

CAS#: unknown

Chemical Formula: C14H19N3O2

Exact Mass: 261.1477

Molecular Weight: 261.33

Elemental Analysis: C, 64.35; H, 7.33; N, 16.08; O, 12.24

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

SCHEMBL20148701; SCHEMBL 20148701; SCHEMBL-20148701;

IUPAC/Chemical Name

5-(3-isopropyl-3,6-diazabicyclo[3.1.1]heptane-6-carbonyl)pyridin-2(1H)-one

InChi Key

LYDXZNLNIQSMIS-UHFFFAOYSA-N

InChi Code

InChI=1S/C14H19N3O2/c1-9(2)16-7-11-5-12(8-16)17(11)14(19)10-3-4-13(18)15-6-10/h3-4,6,9,11-12H,5,7-8H2,1-2H3,(H,15,18)

SMILES Code

O=C1C=CC(C(N2C3CN(C(C)C)CC2C3)=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

Instruction

View handling instruction

	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 261.33 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.

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.