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BCM-599

CAT: 0013-GTR19198133-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198133-02Size:50 mg
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Description
BCM-599 is a small molecule inhibitor of hepatitis B virus (HBV) capsid assembly. It exhibits potent antiviral activity with an IC50 of 0.88 μM and a favorable cytotoxicity profile (CC50 of 144 μM) in HepG2.2.15 cells, making it a useful research tool for studying HBV replication mechanisms in vitro.
CAS Number
1820763-99-2
Field of Research
Immunology & Inflammation, Metabolism Research
Smiles
N (C (CNC (=O) C1=CC=C (F) C=C1) =O) C2=C (Cl) N=C (Cl) C=C2
Molecular Formula
C14H10Cl2FN3O2
Molecular Weight
342.15
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[2-[(2,6-dichloro-3-pyridyl)amino]-2-oxo-ethyl]-4-fluoro-benzamide
CAS Number1820763-99-2
PubChem CID86576805
IUPAC NameN-[2-[(2,6-dichloro-3-pyridinyl)amino]-2-oxoethyl]-4-fluorobenzamide
Molecular FormulaC14H10Cl2FN3O2
Molecular Weight342.1
XLogP3.1
Topological Polar Surface Area71.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity406
SMILES
C1=CC(=CC=C1C(=O)NCC(=O)NC2=C(N=C(C=C2)Cl)Cl)F
InChI
InChI=1S/C14H10Cl2FN3O2/c15-11-6-5-10(13(16)20-11)19-12(21)7-18-14(22)8-1-3-9(17)4-2-8/h1-6H,7H2,(H,18,22)(H,19,21)
InChIKey
HGXMWUZBYQFEPM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[2-[(2,6-dichloro-3-pyridyl)amino]-2-oxo-ethyl]-4-fluoro-benzamide
CAS: 1820763-99-2
CID: 86576805
Formula: C14H10Cl2FN3O2
MW: 342.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight342.1
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass341.0134101
Monoisotopic Mass341.0134101
Topological Polar Surface Area71.1 Ų
Heavy Atom Count22
Formal Charge0
Complexity406
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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