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NBD-557

CAT: 0931-T7382-06Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T7382-06Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
333352-59-3
Target
HIV Protease
Related Pathways
Microbiology/Virology, Proteases/Proteasome
Purity
0.9952
Bioactivity
NBD-557 is a potential inhibitor of HIV-1 (Human Immunodeficiency Virus 1) .
Smiles
CC1(C)CC(CC(C)(C)N1)NC(=O)C(=O)Nc1ccc(Br)cc1
Molecular Formula
C17H24BrN3O2
Molecular Weight
382.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Nbd-557
CAS Number333352-59-3
PubChem CID5279270
IUPAC NameN'-(4-bromophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
Molecular FormulaC17H24BrN3O2
Molecular Weight382.3
XLogP2.9
Topological Polar Surface Area70.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity441
SMILES
CC1(CC(CC(N1)(C)C)NC(=O)C(=O)NC2=CC=C(C=C2)Br)C
InChI
InChI=1S/C17H24BrN3O2/c1-16(2)9-13(10-17(3,4)21-16)20-15(23)14(22)19-12-7-5-11(18)6-8-12/h5-8,13,21H,9-10H2,1-4H3,(H,19,22)(H,20,23)
InChIKey
QQRFLGRIDNNARB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nbd-557
CAS: 333352-59-3
CID: 5279270
Formula: C17H24BrN3O2
MW: 382.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight382.3
XLogP32.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass381.10519
Monoisotopic Mass381.10519
Topological Polar Surface Area70.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity441
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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