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L0909

CAT: 0013-GTR19210070-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210070-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
L0909 is a potent and selective orally available HCV entry inhibitor (EC50 = 0.022 μM, SI > 600) with a novel mechanism. It demonstrates activity against clinically resistant mutants and exhibits synergistic potential with existing therapies, making it a promising candidate for single or combination antiviral research in vitro.
CAS Number
2085271-43-6
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
Storage Conditions
-20°C
Notes
For research use only.

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
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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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