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INSCoV-614 (1B)

CAT: 0013-GTR19185167-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19185167-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
INSCoV-614 (1B) is a potent small molecule inhibitor targeting the SARS-CoV-2 main protease (3CLpro/Mpro), a key enzyme for viral replication. It demonstrates promising antiviral activity in biochemical and cellular assays, supporting its research application in developing anti-COVID-19 therapeutics.
CAS Number
2735704-33-1
Field of Research
Infectious Disease & Virology
Smiles
[C@@H] (N (C ([C@H] (Cl) F) =O) C1=CC=C (C=C1) C2=CC=NO2) (C (NC3CCC (F) (F) CC3) =O) C=4C=NC=NC4
Molecular Formula
C23H21ClF3N5O3
Molecular Weight
507.89
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

INSCoV-614(1B)
CAS Number2735704-33-1
PubChem CID163322132
IUPAC Name(2S)-2-[N-[(2S)-2-chloro-2-fluoroacetyl]-4-(1,2-oxazol-5-yl)anilino]-N-(4,4-difluorocyclohexyl)-2-pyrimidin-5-ylacetamide
Molecular FormulaC23H21ClF3N5O3
Molecular Weight507.9
XLogP3.7
Topological Polar Surface Area101
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count35
Formal Charge0
Complexity727
SMILES
C1CC(CCC1NC(=O)[C@H](C2=CN=CN=C2)N(C3=CC=C(C=C3)C4=CC=NO4)C(=O)[C@@H](F)Cl)(F)F
InChI
InChI=1S/C23H21ClF3N5O3/c24-20(25)22(34)32(17-3-1-14(2-4-17)18-7-10-30-35-18)19(15-11-28-13-29-12-15)21(33)31-16-5-8-23(26,27)9-6-16/h1-4,7,10-13,16,19-20H,5-6,8-9H2,(H,31,33)/t19-,20+/m0/s1
InChIKey
AXOSYDUPSLYKSA-VQTJNVASSA-N
Chemical Structure
2D Structure
2D structure of INSCoV-614(1B)
CAS: 2735704-33-1
CID: 163322132
Formula: C23H21ClF3N5O3
MW: 507.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight507.9
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass507.1285017
Monoisotopic Mass507.1285017
Topological Polar Surface Area101 Ų
Heavy Atom Count35
Formal Charge0
Complexity727
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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HY-144063INSCoV-600K (1)
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