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CCF0058981

CAT: 1410-M28541-06Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1410-M28541-06Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CCF0058981 is a SARS-CoV-2 inhibitor with low nanomolar biochemical inhibition and efficacy in cellular models comparable to that of Remdesivir.
CAS Number
2708934-53-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
442.9
Molecular Formula
C24H19ClN6O
Notes
Research use only, not for human use.
Receptor
NF-κB|NOS|ROS

Chemical Information

2-(benzotriazol-1-yl)-~{N}-[(3-chlorophenyl)methyl]-~{N}-[4-(1~{H}-imidazol-5-yl)phenyl]ethanamide
CAS Number2708934-53-4
PubChem CID156027237
IUPAC Name2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(1H-imidazol-5-yl)phenyl]acetamide
Molecular FormulaC24H19ClN6O
Molecular Weight442.9
XLogP4.2
Topological Polar Surface Area79.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity630
SMILES
C1=CC=C2C(=C1)N=NN2CC(=O)N(CC3=CC(=CC=C3)Cl)C4=CC=C(C=C4)C5=CN=CN5
InChI
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)
InChIKey
NQTRFDLUODRJKC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(benzotriazol-1-yl)-~{N}-[(3-chlorophenyl)methyl]-~{N}-[4-(1~{H}-imidazol-5-yl)phenyl]ethanamide
CAS: 2708934-53-4
CID: 156027237
Formula: C24H19ClN6O
MW: 442.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight442.9
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass442.1308869
Monoisotopic Mass442.1308869
Topological Polar Surface Area79.7 Ų
Heavy Atom Count32
Formal Charge0
Complexity630
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
BA2272-25CCF0058981

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