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(Rac) -X77

CAT: 0013-GTR19165949-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19165949-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
(Rac) -X77
CAS Number
2144491-78-9
Product Name Alternative
CPD77, CPD-77, CPD 77, coronaviruses, (Rac) X77, (Rac) X77, (Rac) -X77, (Rac) -X-77, inhibit, MUN 91789, MUN91789, MUN-91789, Inhibitor, protease, X 77, X77, X-77, SARS-CoV-2, SARS-CoV, SARSCoV, SARS coronavirus
Field of Research
Infectious Disease & Virology, Signal Transduction
Purity
98.62% (May vary between batches)
Solubility
DMSO:4.6 mg/mL (10.01 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:1 mg/mL (2.18 mM)
Smiles
CC (C) (C) c1ccc (cc1) N (C (C (=O) NC1CCCCC1) c1cccnc1) C (=O) c1cnc[nH]1
Molecular Formula
C27H33N5O2
Molecular Weight
459.58
Storage Conditions
-20°C
Notes
For research use only.

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

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