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CRBN ligand-288

CAT: 0013-GTR19275264-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19275264-01Size:50 mg
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Description
CRBN ligand-288 is an E3 ubiquitin ligase cereblon (CRBN) ligand utilized for recruiting cereblon proteins. It can be linked via a linker to a target protein ligand to form a PROTAC.
CAS Number
2925100-57-6
Smiles
O=C1NC (=O) CCN1C2=CC (N) =CC=3C=CNC32
Molecular Formula
C12H12N4O2
Molecular Weight
244.25
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-(5-amino-1H-indol-7-yl)-1,3-diazinane-2,4-dione
CAS Number2925100-57-6
PubChem CID169548431
IUPAC Name1-(5-amino-1H-indol-7-yl)-1,3-diazinane-2,4-dione
Molecular FormulaC12H12N4O2
Molecular Weight244.25
XLogP0
Topological Polar Surface Area91.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity373
SMILES
C1CN(C(=O)NC1=O)C2=C3C(=CC(=C2)N)C=CN3
InChI
InChI=1S/C12H12N4O2/c13-8-5-7-1-3-14-11(7)9(6-8)16-4-2-10(17)15-12(16)18/h1,3,5-6,14H,2,4,13H2,(H,15,17,18)
InChIKey
HOIWMIZVSKOKKD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(5-amino-1H-indol-7-yl)-1,3-diazinane-2,4-dione
CAS: 2925100-57-6
CID: 169548431
Formula: C12H12N4O2
MW: 244.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight244.25
XLogP30
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass244.09602564
Monoisotopic Mass244.09602564
Topological Polar Surface Area91.2 Ų
Heavy Atom Count18
Formal Charge0
Complexity373
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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