Products for Research Use Only
RegisterLogin

CPD77

CAT: 1410-M22416-01Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1410-M22416-01Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
CPD77 is a potent SARS-​CoV-​2 main protease inhibitor.
CAS Number
2144491-78-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
459.26
Molecular Formula
C27H33N5O2
Notes
Research use only, not for human use.
Receptor
SARS-CoV-2

Chemical Information

N-(4-(tert-Butyl)phenyl)-N-(2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl)-1H-imidazole-4-carboxamide
CAS Number2144491-78-9
PubChem CID132058207
IUPAC NameN-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide
Molecular FormulaC27H33N5O2
Molecular Weight459.6
XLogP4.9
Topological Polar Surface Area91
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity679
SMILES
CC(C)(C)C1=CC=C(C=C1)N(C(C2=CN=CC=C2)C(=O)NC3CCCCC3)C(=O)C4=CN=CN4
InChI
InChI=1S/C27H33N5O2/c1-27(2,3)20-11-13-22(14-12-20)32(26(34)23-17-29-18-30-23)24(19-8-7-15-28-16-19)25(33)31-21-9-5-4-6-10-21/h7-8,11-18,21,24H,4-6,9-10H2,1-3H3,(H,29,30)(H,31,33)
InChIKey
MUNFBYOTGGMQOS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-(tert-Butyl)phenyl)-N-(2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl)-1H-imidazole-4-carboxamide
CAS: 2144491-78-9
CID: 132058207
Formula: C27H33N5O2
MW: 459.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight459.6
XLogP34.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass459.26342531
Monoisotopic Mass459.26342531
Topological Polar Surface Area91 Ų
Heavy Atom Count34
Formal Charge0
Complexity679
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
M35217-01Cpd27

Alternative Products

CatalogName
MBS5759469CPD77

Popular Products