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CRBN ligand-752

CAT: 0013-GTR19275695-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19275695-01Size:10 mg
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Description
CRBN ligand-752 is an E3 ubiquitin ligase cereblon (CRBN) ligand used to recruit cereblon proteins. It can connect to a target protein ligand via a linker to form a PROTAC.
CAS Number
2925075-71-2
Smiles
O=C1NC (=O) CCN1C2=CC=C3C (=C2) CCNCC3
Molecular Formula
C14H17N3O2
Molecular Weight
259.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,3-diazinane-2,4-dione
CAS Number2925075-71-2
PubChem CID169548548
IUPAC Name1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,3-diazinane-2,4-dione
Molecular FormulaC14H17N3O2
Molecular Weight259.30
XLogP0.5
Topological Polar Surface Area61.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity372
SMILES
C1CNCCC2=C1C=CC(=C2)N3CCC(=O)NC3=O
InChI
InChI=1S/C14H17N3O2/c18-13-5-8-17(14(19)16-13)12-2-1-10-3-6-15-7-4-11(10)9-12/h1-2,9,15H,3-8H2,(H,16,18,19)
InChIKey
FLMFCPQNQWHFRG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,3-diazinane-2,4-dione
CAS: 2925075-71-2
CID: 169548548
Formula: C14H17N3O2
MW: 259.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight259.30
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass259.132076794
Monoisotopic Mass259.132076794
Topological Polar Surface Area61.4 Ų
Heavy Atom Count19
Formal Charge0
Complexity372
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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