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CBS1117

CAT: 0013-GTR19156835-03Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19156835-03Size:1 g
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Description
CBS1117 is an inhibitor virus entry inhibitor (IC50 of 70 nM for influenza A virus), A/Puerto Rico/8/34 (H1N1) . It interferes with the hemagglutinin (HA) -mediated fusion process.CBS1117 which has a 50% inhibitory concentration of 70 nM and a selectivity index of ~4000 against A/Puerto Rico/8/34 (H1N1) infection in human lung epithelial cell line (A549) .
CAS Number
959245-08-0
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 250 mg/mL (793.05 mM)
Smiles
O=C (NC1CCN (C (C) C) CC1) C2=C (Cl) C=CC=C2Cl
Molecular Formula
C15H20Cl2N2O
Molecular Weight
315.24
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

2,6-Dichloro-N-[1-(1-methylethyl)-4-piperidinyl]benzamide
CAS Number959245-08-0
PubChem CID25236799
IUPAC Name2,6-dichloro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.2
XLogP3.8
Topological Polar Surface Area32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity320
SMILES
CC(C)N1CCC(CC1)NC(=O)C2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C15H20Cl2N2O/c1-10(2)19-8-6-11(7-9-19)18-15(20)14-12(16)4-3-5-13(14)17/h3-5,10-11H,6-9H2,1-2H3,(H,18,20)
InChIKey
OUZZSIOQTSNTTI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,6-Dichloro-N-[1-(1-methylethyl)-4-piperidinyl]benzamide
CAS: 959245-08-0
CID: 25236799
Formula: C15H20Cl2N2O
MW: 315.2
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight315.2
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass314.0952687
Monoisotopic Mass314.0952687
Topological Polar Surface Area32.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity320
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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