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LabMol-301

CAT: 0013-GTR19212347-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19212347-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
LabMol-301 is a dual-target inhibitor of ZIKV, potently blocking viral replication by inhibiting the NS5 RdRp (IC50 = 0.8 μM) and NS2B-NS3 protease (IC50 = 7.4 μM) . It also provides cytoprotection against virus-induced cell death, making it a valuable tool for antiviral research in both in vitro and in vivo studies.
CAS Number
1360243-08-8
Field of Research
Infectious Disease & Virology
Smiles
NC=1C (C2=C3C (=NC (NCC=4C=CC=NC4) =C2) NC=C3) =CN=CC1
Molecular Formula
C18H16N6
Molecular Weight
316.36
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

LabMol-301
CAS Number1360243-08-8
PubChem CID56898637
IUPAC Name4-(4-amino-3-pyridinyl)-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
Molecular FormulaC18H16N6
Molecular Weight316.4
XLogP1.9
Topological Polar Surface Area92.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity405
SMILES
C1=CC(=CN=C1)CNC2=NC3=C(C=CN3)C(=C2)C4=C(C=CN=C4)N
InChI
InChI=1S/C18H16N6/c19-16-4-6-21-11-15(16)14-8-17(24-18-13(14)3-7-22-18)23-10-12-2-1-5-20-9-12/h1-9,11H,10H2,(H2,19,21)(H2,22,23,24)
InChIKey
YFIFHRUAUGJJAV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of LabMol-301
CAS: 1360243-08-8
CID: 56898637
Formula: C18H16N6
MW: 316.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight316.4
XLogP31.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass316.14364454
Monoisotopic Mass316.14364454
Topological Polar Surface Area92.5 Ų
Heavy Atom Count24
Formal Charge0
Complexity405
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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