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ONC212

CAT: 1410-M20724-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1410-M20724-06Size:100 mg
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Description
ONC212 a fluorinated-ONC201 analogue is a selective agonist of GPR132.
CAS Number
1807861-48-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
440.46
Molecular Formula
C24H23F3N4O
Notes
Research use only, not for human use.
Receptor
GPR132

Chemical Information

Onc212
CAS Number1807861-48-8
PubChem CID124085867
IUPAC Name11-benzyl-7-[[4-(trifluoromethyl)phenyl]methyl]-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5-dien-8-one
Molecular FormulaC24H23F3N4O
Molecular Weight440.5
XLogP2.8
Topological Polar Surface Area39.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count32
Formal Charge0
Complexity779
SMILES
C1CN(CC2=C1N3CCN=C3N(C2=O)CC4=CC=C(C=C4)C(F)(F)F)CC5=CC=CC=C5
InChI
InChI=1S/C24H23F3N4O/c25-24(26,27)19-8-6-18(7-9-19)15-31-22(32)20-16-29(14-17-4-2-1-3-5-17)12-10-21(20)30-13-11-28-23(30)31/h1-9H,10-16H2
InChIKey
DFULPGUTXZTYKA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Onc212
CAS: 1807861-48-8
CID: 124085867
Formula: C24H23F3N4O
MW: 440.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight440.5
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass440.18239586
Monoisotopic Mass440.18239586
Topological Polar Surface Area39.2 Ų
Heavy Atom Count32
Formal Charge0
Complexity779
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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