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CRBN ligand-229

CAT: 0013-GTR19276213-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19276213-01Size:10 mg
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Description
CRBN ligand-229 is a ligand of the E3 ubiquitin ligase cereblon (CRBN), utilized for recruiting the cereblon protein. It can be linked to a target protein ligand via a linker to form a PROTAC.
CAS Number
2933136-83-3
Smiles
O=C1NC (=O) C (C2=CC=C (C=C2) CN3CCNCC3) CC1
Molecular Formula
C16H21N3O2
Molecular Weight
287.36
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-[4-(Piperazin-1-ylmethyl)phenyl]piperidine-2,6-dione
CAS Number2933136-83-3
PubChem CID168902000
IUPAC Name3-[4-(piperazin-1-ylmethyl)phenyl]piperidine-2,6-dione
Molecular FormulaC16H21N3O2
Molecular Weight287.36
XLogP0.2
Topological Polar Surface Area61.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity385
SMILES
C1CC(=O)NC(=O)C1C2=CC=C(C=C2)CN3CCNCC3
InChI
InChI=1S/C16H21N3O2/c20-15-6-5-14(16(21)18-15)13-3-1-12(2-4-13)11-19-9-7-17-8-10-19/h1-4,14,17H,5-11H2,(H,18,20,21)
InChIKey
CWKIUDFRGMYZBA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-[4-(Piperazin-1-ylmethyl)phenyl]piperidine-2,6-dione
CAS: 2933136-83-3
CID: 168902000
Formula: C16H21N3O2
MW: 287.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight287.36
XLogP30.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass287.16337692
Monoisotopic Mass287.16337692
Topological Polar Surface Area61.4 Ų
Heavy Atom Count21
Formal Charge0
Complexity385
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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