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CRBN ligand-387

CAT: 0013-GTR19276473-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19276473-01Size:50 mg
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Description
CRBN ligand-387 is a ligand for the E3 ubiquitin ligase cereblon (CRBN), used to recruit cereblon proteins. It can be connected via a linker to a target protein ligand to form a PROTAC.
CAS Number
2925073-60-3
Smiles
O=C1NC (=O) CCN1C=2C=CC=3C (Br) =NNC3C2
Molecular Formula
C11H9BrN4O2
Molecular Weight
309.12
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-(3-bromo-1H-indazol-6-yl)-1,3-diazinane-2,4-dione
CAS Number2925073-60-3
PubChem CID169548818
IUPAC Name1-(3-bromo-2H-indazol-6-yl)-1,3-diazinane-2,4-dione
Molecular FormulaC11H9BrN4O2
Molecular Weight309.12
XLogP1.3
Topological Polar Surface Area78.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity378
SMILES
C1CN(C(=O)NC1=O)C2=CC3=NNC(=C3C=C2)Br
InChI
InChI=1S/C11H9BrN4O2/c12-10-7-2-1-6(5-8(7)14-15-10)16-4-3-9(17)13-11(16)18/h1-2,5H,3-4H2,(H,14,15)(H,13,17,18)
InChIKey
SKPXIIMMHHGERA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(3-bromo-1H-indazol-6-yl)-1,3-diazinane-2,4-dione
CAS: 2925073-60-3
CID: 169548818
Formula: C11H9BrN4O2
MW: 309.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight309.12
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass307.99089
Monoisotopic Mass307.99089
Topological Polar Surface Area78.1 Ų
Heavy Atom Count18
Formal Charge0
Complexity378
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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