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SARS-CoV-2-IN-20

CAT: 0931-T61591-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T61591-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1260244-33-4
Target
Others, SARS-CoV
Related Pathways
Microbiology/Virology, Others
Bioactivity
SARS-CoV-2-IN-20 (Compound 1a) is a highly effective SARS-CoV-2 inhibitor with an impressive EC50 value of 6.5 μM, demonstrating significant potential for advancing infectious disease research [1].
Smiles
O(CCN(CC)CC)C=1C2=C(N=C(C1)C3=CC=C(OCCC)C=C3)C=CC=C2
Molecular Formula
C24H30N2O2
Molecular Weight
378.51
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

SARS-CoV-2-IN-20
CAS Number1260244-33-4
PubChem CID53316933
IUPAC NameN,N-diethyl-2-[2-(4-propoxyphenyl)quinolin-4-yl]oxyethanamine
Molecular FormulaC24H30N2O2
Molecular Weight378.5
XLogP5.5
Topological Polar Surface Area34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Heavy Atom Count28
Formal Charge0
Complexity421
SMILES
CCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)OCCN(CC)CC
InChI
InChI=1S/C24H30N2O2/c1-4-16-27-20-13-11-19(12-14-20)23-18-24(28-17-15-26(5-2)6-3)21-9-7-8-10-22(21)25-23/h7-14,18H,4-6,15-17H2,1-3H3
InChIKey
SHIKXKJXWQEZOU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SARS-CoV-2-IN-20
CAS: 1260244-33-4
CID: 53316933
Formula: C24H30N2O2
MW: 378.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight378.5
XLogP35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Exact Mass378.230728204
Monoisotopic Mass378.230728204
Topological Polar Surface Area34.6 Ų
Heavy Atom Count28
Formal Charge0
Complexity421
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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