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SARS-CoV-2-IN-86

CAT: 0931-T88228-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T88228-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
368866-07-3
Target
SARS-CoV
Related Pathways
Microbiology/Virology
Bioactivity
SARS-CoV-2-IN-86 (Compound 2734589) acts as a dual inhibitor targeting the SARS-CoV-2 methyltransferases nsp14 and nsp16. It demonstrates low toxicity, with a lethal dose (LD 50) of 700 mg/kg as predicted by toxicity analysis.
Smiles
O=C(OC(C)(C)C)NC1(C(=O)O)CCN(C(=O)OCC2C=3C=CC=CC3C=4C=CC=CC42)CC1
Molecular Formula
C26H30N2O6
Molecular Weight
466.53
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-(9H-fluoren-9-ylmethoxycarbonyl)-4-(tert-butoxycarbonylamino)piperidine-4-carboxylate
CAS Number368866-07-3
PubChem CID7168161
IUPAC Name1-(9H-fluoren-9-ylmethoxycarbonyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate
Molecular FormulaC26H29N2O6-
Molecular Weight465.5
XLogP4.5
Topological Polar Surface Area108
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge-1
Complexity742
SMILES
CC(C)(C)OC(=O)NC1(CCN(CC1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)[O-]
InChI
InChI=1S/C26H30N2O6/c1-25(2,3)34-23(31)27-26(22(29)30)12-14-28(15-13-26)24(32)33-16-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,21H,12-16H2,1-3H3,(H,27,31)(H,29,30)/p-1
InChIKey
SHJZHFAOEGNFGY-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of 1-(9H-fluoren-9-ylmethoxycarbonyl)-4-(tert-butoxycarbonylamino)piperidine-4-carboxylate
CAS: 368866-07-3
CID: 7168161
Formula: C26H29N2O6-
MW: 465.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight465.5
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass465.20256165
Monoisotopic Mass465.20256165
Topological Polar Surface Area108 Ų
Heavy Atom Count34
Formal Charge-1
Complexity742
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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Alternative Products

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HY-W024485-01SARS-CoV-2-IN-86
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MBS434378-01SARS-CoV-2 Pseudoviral Particles, Omicron BA.2.86 Variant
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