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CRBN ligand-201

CAT: 0013-GTR19275521-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19275521-01Size:10 mg
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Description
CRBN ligand-201 is a ligand for the E3 ubiquitin ligase cereblon (CRBN), used to recruit the cereblon protein. It can be linked to a target protein ligand via a linker to form PROTAC.
CAS Number
2766179-06-8
Smiles
O=C1NC (=O) CCN1C=2C=CC=C3NC (=CC32) C4CCNCC4
Molecular Formula
C17H20N4O2
Molecular Weight
312.37
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-[2-(piperidin-4-yl)-1H-indol-4-yl]-1,3-diazinane-2,4-dione
CAS Number2766179-06-8
PubChem CID163231104
IUPAC Name1-(2-piperidin-4-yl-1H-indol-4-yl)-1,3-diazinane-2,4-dione
Molecular FormulaC17H20N4O2
Molecular Weight312.37
XLogP0.9
Topological Polar Surface Area77.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity477
SMILES
C1CNCCC1C2=CC3=C(N2)C=CC=C3N4CCC(=O)NC4=O
InChI
InChI=1S/C17H20N4O2/c22-16-6-9-21(17(23)20-16)15-3-1-2-13-12(15)10-14(19-13)11-4-7-18-8-5-11/h1-3,10-11,18-19H,4-9H2,(H,20,22,23)
InChIKey
CFNGEHKUOCVEMV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-[2-(piperidin-4-yl)-1H-indol-4-yl]-1,3-diazinane-2,4-dione
CAS: 2766179-06-8
CID: 163231104
Formula: C17H20N4O2
MW: 312.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight312.37
XLogP30.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass312.15862589
Monoisotopic Mass312.15862589
Topological Polar Surface Area77.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity477
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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