CCF0058981 | CAS#2708934-53-4 | SARS-CoV‑2 3CLpro Inhibitor

MedKoo Cat#: 465270 | Name: CCF0058981

Description:

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

CCF0058981, also known as CCF981, is a ML300-Derived, Noncovalent Inhibitor Targeting the Severe Acute Respiratory Syndrome Coronavirus 3CL Protease (SARS-CoV‑2 3CLpro). CCF0058981 demonstrates nanomolar activity in these respective assays, comparable in potency to remdesivir.

Chemical Structure

CCF0058981

CAS#2708934-53-4

Theoretical Analysis

MedKoo Cat#: 465270

Name: CCF0058981

CAS#: 2708934-53-4

Chemical Formula: C24H19ClN6O

Exact Mass: 442.1309

Molecular Weight: 442.91

Elemental Analysis: C, 65.08; H, 4.32; Cl, 8.00; N, 18.98; O, 3.61

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

CCF0058981; CCF 0058981; CCF-0058981; CCF981; CCF-981; CCF 981;

IUPAC/Chemical Name

N-(4-(1H-imidazol-4-yl)phenyl)-2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(3-chlorobenzyl)acetamide

InChi Key

NQTRFDLUODRJKC-UHFFFAOYSA-N

InChi Code

InChI=1S/C24H19ClN6O/c25-19-5-3-4-17(12-19)14-30(20-10-8-18(9-11-20)22-13-26-16-27-22)24(32)15-31-23-7-2-1-6-21(23)28-29-31/h1-13,16H,14-15H2,(H,26,27)

SMILES Code

O=C(N(C1=CC=C(C2=CNC=N2)C=C1)CC3=CC=CC(Cl)=C3)CN4N=NC5=CC=CC=C54

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

Preparing Stock Solutions

The following data is based on the product molecular weight 442.91 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: Han SH, Goins CM, Arya T, Shin WJ, Maw J, Hooper A, Sonawane DP, Porter MR, Bannister BE, Crouch RD, Lindsey AA, Lakatos G, Martinez SR, Alvarado J, Akers WS, Wang NS, Jung JU, Macdonald JD, Stauffer SR. Structure-Based Optimization of ML300-Derived, Noncovalent Inhibitors Targeting the Severe Acute Respiratory Syndrome Coronavirus 3CL Protease (SARS-CoV-2 3CLpro). J Med Chem. 2021 Aug 4. doi: 10.1021/acs.jmedchem.1c00598. Epub ahead of print. PMID: 34347470.