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JNJ-63533054

CAT: 0931-T3119-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T3119-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1802326-66-4
Target
GPCR
Related Pathways
Endocrinology/Hormones, GPCR/G Protein
Purity
>99.99%
Bioactivity
JNJ-63533054 is a potent and selective agonist of hGPR139 with an EC50 = 16 nM.
Smiles
C[C@H](NC(=O)CNC(=O)c1cccc(Cl)c1)c1ccccc1
Molecular Formula
C17H17ClN2O2
Molecular Weight
316.78
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Jnj-63533054
CAS Number1802326-66-4
PubChem CID2548547
IUPAC Name3-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide
Molecular FormulaC17H17ClN2O2
Molecular Weight316.8
XLogP3.1
Topological Polar Surface Area58.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity383
SMILES
C[C@@H](C1=CC=CC=C1)NC(=O)CNC(=O)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C17H17ClN2O2/c1-12(13-6-3-2-4-7-13)20-16(21)11-19-17(22)14-8-5-9-15(18)10-14/h2-10,12H,11H2,1H3,(H,19,22)(H,20,21)/t12-/m0/s1
InChIKey
MWDVCHRYCKXEBY-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of Jnj-63533054
CAS: 1802326-66-4
CID: 2548547
Formula: C17H17ClN2O2
MW: 316.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight316.8
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass316.0978555
Monoisotopic Mass316.0978555
Topological Polar Surface Area58.2 Ų
Heavy Atom Count22
Formal Charge0
Complexity383
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS131356JNJ-63533054 (JNJ63533054; JNJ 63533054)
523108JNJ 63533054
bs-82716C-01JNJ-63533054
A15449-5JNJ 63533054 5mg
A15449-100JNJ 63533054 100mg
A15449-500JNJ 63533054 500mg

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