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L0909

CAT: 0931-T69935-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T69935-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2085271-43-6
Target
Others
Related Pathways
Others
Bioactivity
L0909 is an orally available inhibitors of Hepatitis C virus with a novel mechanism of action (EC50 = 0.022 μM, SI > 600) . L0909 could block HCV replication by acting on the HCV entry stage. The high sensitivity to clinical resistant HCV mutants and synergistic effect with clinical drugs were observed for this compound. L0909 as a promising HCV entry inhibitor for single or combinational therapeutic potential.
Smiles
C(C1=C(C#N)C=CC(N(CCN(C)C)C)=C1)N2CCN(CC2)C3=CC=C(Cl)C=C3
Molecular Formula
C23H30ClN5
Molecular Weight
411.97
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-[[4-(4-Chlorophenyl)piperazin-1-yl]methyl]-4-[2-(dimethylamino)ethyl-methylamino]benzonitrile
CAS Number2085271-43-6
PubChem CID156013932
IUPAC Name2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-4-[2-(dimethylamino)ethyl-methylamino]benzonitrile
Molecular FormulaC23H30ClN5
Molecular Weight412.0
XLogP3.9
Topological Polar Surface Area36.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity531
SMILES
CN(C)CCN(C)C1=CC(=C(C=C1)C#N)CN2CCN(CC2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H30ClN5/c1-26(2)10-11-27(3)23-7-4-19(17-25)20(16-23)18-28-12-14-29(15-13-28)22-8-5-21(24)6-9-22/h4-9,16H,10-15,18H2,1-3H3
InChIKey
ZMKYHHMOPNGIDE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[[4-(4-Chlorophenyl)piperazin-1-yl]methyl]-4-[2-(dimethylamino)ethyl-methylamino]benzonitrile
CAS: 2085271-43-6
CID: 156013932
Formula: C23H30ClN5
MW: 412.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight412.0
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass411.2189737
Monoisotopic Mass411.2189737
Topological Polar Surface Area36.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity531
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

Alternative Products

CatalogName
MBS5812479L0909

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