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C-467929

CAT: 0013-GTR19249865-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19249865-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
C-467929 is a small molecule inhibitor of the SARS-CoV-2 Nsp15 endoribonuclease with an IC50 of 8 μM. It is a useful research tool for studying coronavirus replication mechanisms in both in vitro enzymatic assays and cellular infection models.
CAS Number
351891-58-2
Field of Research
Infectious Disease & Virology
Smiles
O=C (O) C1=CC (=CC=C1NC (=O) C2=CC=CC (=C2) N (=O) =O) CC3=CC=C (NC (=O) C4=CC=CC (=C4) N (=O) =O) C (=C3) C (=O) O
Molecular Formula
C29H20N4O10
Molecular Weight
584.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-[[3-Carboxy-4-[(3-nitrobenzoyl)amino]phenyl]methyl]-2-[(3-nitrobenzoyl)amino]benzoic acid
CAS Number351891-58-2
PubChem CID2245189
IUPAC Name5-[[3-carboxy-4-[(3-nitrobenzoyl)amino]phenyl]methyl]-2-[(3-nitrobenzoyl)amino]benzoic acid
Molecular FormulaC29H20N4O10
Molecular Weight584.5
XLogP5.3
Topological Polar Surface Area224
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count43
Formal Charge0
Complexity992
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=C(C=C(C=C2)CC3=CC(=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)O)C(=O)O
InChI
InChI=1S/C29H20N4O10/c34-26(18-3-1-5-20(14-18)32(40)41)30-24-9-7-16(12-22(24)28(36)37)11-17-8-10-25(23(13-17)29(38)39)31-27(35)19-4-2-6-21(15-19)33(42)43/h1-10,12-15H,11H2,(H,30,34)(H,31,35)(H,36,37)(H,38,39)
InChIKey
HVFKDKMTOCUTNO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-[[3-Carboxy-4-[(3-nitrobenzoyl)amino]phenyl]methyl]-2-[(3-nitrobenzoyl)amino]benzoic acid
CAS: 351891-58-2
CID: 2245189
Formula: C29H20N4O10
MW: 584.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight584.5
XLogP35.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass584.11794285
Monoisotopic Mass584.11794285
Topological Polar Surface Area224 Ų
Heavy Atom Count43
Formal Charge0
Complexity992
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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