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LabMol-319

CAT: 0931-T72051-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T72051-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
381188-63-2
Target
Anti-infection, Virus Protease
Related Pathways
Microbiology/Virology
Purity
0.9992
Bioactivity
LabMol-319 is a potent Zika virus (ZIKV) NS5 RdRp inhibitor with antiviral activity for the study of ZIKV virus.
Smiles
O=C1C=2C(C(=O)N1C3=CC(C(OC)=O)=CC=C3)=CC=C(OC4=CC=C(N)C=C4)C2
Molecular Formula
C22H16N2O5
Molecular Weight
388.37
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

LabMol-319
CAS Number381188-63-2
PubChem CID1255872
IUPAC Namemethyl 3-[5-(4-aminophenoxy)-1,3-dioxoisoindol-2-yl]benzoate
Molecular FormulaC22H16N2O5
Molecular Weight388.4
XLogP3.2
Topological Polar Surface Area98.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity645
SMILES
COC(=O)C1=CC(=CC=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)N
InChI
InChI=1S/C22H16N2O5/c1-28-22(27)13-3-2-4-15(11-13)24-20(25)18-10-9-17(12-19(18)21(24)26)29-16-7-5-14(23)6-8-16/h2-12H,23H2,1H3
InChIKey
RSNZUSAICBITNA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of LabMol-319
CAS: 381188-63-2
CID: 1255872
Formula: C22H16N2O5
MW: 388.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight388.4
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass388.10592162
Monoisotopic Mass388.10592162
Topological Polar Surface Area98.9 Ų
Heavy Atom Count29
Formal Charge0
Complexity645
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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CatalogName
BA1656-10LabMol-319
HY-151526LabMol-301
B7689-10(±)-SLV 319
TRC-I627990-100MGIN-KT 319
M17011Ch-319
HY-116508MK 319
204310AMG-319
MBS5779248ACP-319
sc-222317A(±) -SLV 319
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