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CRBN ligand-295

CAT: 0013-GTR19276423-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19276423-01Size:50 mg
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Description
CRBN ligand-295 is a ligand for the E3 ubiquitin ligase cereblon (CRBN) that facilitates the recruitment of cereblon proteins. It can be linked to a target protein ligand via a linker to form a PROTAC.
CAS Number
2925092-24-4
Smiles
O=C1NC (=O) CCN1C2=CC=C (N) C=3NC=CC23
Molecular Formula
C12H12N4O2
Molecular Weight
244.25
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-(7-amino-1H-indol-4-yl)-1,3-diazinane-2,4-dione
CAS Number2925092-24-4
PubChem CID169548430
IUPAC Name1-(7-amino-1H-indol-4-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=CNC3=C(C=C2)N
InChI
InChI=1S/C12H12N4O2/c13-8-1-2-9(7-3-5-14-11(7)8)16-6-4-10(17)15-12(16)18/h1-3,5,14H,4,6,13H2,(H,15,17,18)
InChIKey
SCCIOTRPLFVIND-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(7-amino-1H-indol-4-yl)-1,3-diazinane-2,4-dione
CAS: 2925092-24-4
CID: 169548430
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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HY-W953390CRBN ligand-295
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