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CRBN ligand-667

CAT: 0013-GTR19275609-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19275609-01Size:50 mg
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Description
CRBN ligand-667 is an E3 ubiquitin ligase cereblon (CRBN) ligand designed to recruit cereblon protein. This compound can be joined via a linker to a target protein ligand to create a PROTAC.
CAS Number
2925088-10-2
Smiles
O=C1NC (=O) CCN1C2=CC=CC3=C2CCNC3
Molecular Formula
C13H15N3O2
Molecular Weight
245.28
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-(1,2,3,4-Tetrahydroisoquinolin-5-yl)-1,3-diazinane-2,4-dione
CAS Number2925088-10-2
PubChem CID169548442
IUPAC Name1-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,3-diazinane-2,4-dione
Molecular FormulaC13H15N3O2
Molecular Weight245.28
XLogP0
Topological Polar Surface Area61.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity358
SMILES
C1CNCC2=C1C(=CC=C2)N3CCC(=O)NC3=O
InChI
InChI=1S/C13H15N3O2/c17-12-5-7-16(13(18)15-12)11-3-1-2-9-8-14-6-4-10(9)11/h1-3,14H,4-8H2,(H,15,17,18)
InChIKey
HIZJZVIYRNMVNY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(1,2,3,4-Tetrahydroisoquinolin-5-yl)-1,3-diazinane-2,4-dione
CAS: 2925088-10-2
CID: 169548442
Formula: C13H15N3O2
MW: 245.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight245.28
XLogP30
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass245.116426730
Monoisotopic Mass245.116426730
Topological Polar Surface Area61.4 Ų
Heavy Atom Count18
Formal Charge0
Complexity358
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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