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CRBN ligand-226

CAT: 0013-GTR19276084-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19276084-01Size:50 mg
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Description
CRBN ligand-226 is an E3 ubiquitin ligase cereblon (CRBN) ligand used for recruiting the cereblon protein. CRBN ligand-226 can be linked to a target protein ligand via a linker to form a PROTAC.
CAS Number
2925088-16-8
Smiles
O=C1NC (=O) CCN1C2=CC=CC3=C2CNC3
Molecular Formula
C12H13N3O2
Molecular Weight
231.26
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-(2,3-dihydro-1H-isoindol-4-yl)-1,3-diazinane-2,4-dione
CAS Number2925088-16-8
PubChem CID169548423
IUPAC Name1-(2,3-dihydro-1H-isoindol-4-yl)-1,3-diazinane-2,4-dione
Molecular FormulaC12H13N3O2
Molecular Weight231.25
XLogP-0.5
Topological Polar Surface Area61.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count17
Formal Charge0
Complexity345
SMILES
C1CN(C(=O)NC1=O)C2=CC=CC3=C2CNC3
InChI
InChI=1S/C12H13N3O2/c16-11-4-5-15(12(17)14-11)10-3-1-2-8-6-13-7-9(8)10/h1-3,13H,4-7H2,(H,14,16,17)
InChIKey
GFKMITRFBTWRBE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2,3-dihydro-1H-isoindol-4-yl)-1,3-diazinane-2,4-dione
CAS: 2925088-16-8
CID: 169548423
Formula: C12H13N3O2
MW: 231.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight231.25
XLogP3-0.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass231.100776666
Monoisotopic Mass231.100776666
Topological Polar Surface Area61.4 Ų
Heavy Atom Count17
Formal Charge0
Complexity345
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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