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CRBN ligand-289

CAT: 0013-GTR19276220-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19276220-01Size:10 mg
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Description
CRBN ligand-289 is a ligand for the E3 ubiquitin ligase cereblon (CRBN), designed to recruit the cereblon protein. It can be linked via a linker to a target protein ligand to form a PROTAC.
CAS Number
2925100-50-9
Smiles
O=C1NC (=O) CCN1C2=CC=C (Br) C=3C=CNC32
Molecular Formula
C12H10BrN3O2
Molecular Weight
308.14
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-(4-bromo-1H-indol-7-yl)-1,3-diazinane-2,4-dione
CAS Number2925100-50-9
PubChem CID169548812
IUPAC Name1-(4-bromo-1H-indol-7-yl)-1,3-diazinane-2,4-dione
Molecular FormulaC12H10BrN3O2
Molecular Weight308.13
XLogP1.4
Topological Polar Surface Area65.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity376
SMILES
C1CN(C(=O)NC1=O)C2=C3C(=C(C=C2)Br)C=CN3
InChI
InChI=1S/C12H10BrN3O2/c13-8-1-2-9(11-7(8)3-5-14-11)16-6-4-10(17)15-12(16)18/h1-3,5,14H,4,6H2,(H,15,17,18)
InChIKey
PASHUNHUZMFKEP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(4-bromo-1H-indol-7-yl)-1,3-diazinane-2,4-dione
CAS: 2925100-50-9
CID: 169548812
Formula: C12H10BrN3O2
MW: 308.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight308.13
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass306.99564
Monoisotopic Mass306.99564
Topological Polar Surface Area65.2 Ų
Heavy Atom Count18
Formal Charge0
Complexity376
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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