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CRBN ligand-378

CAT: 0013-GTR19276259-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19276259-01Size:10 mg
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Description
CRBN ligand-378 is a ligand for the E3 ubiquitin ligase cereblon (CRBN), utilized to recruit cereblon proteins. It can be conjugated to a target protein ligand via a linker to form a PROTAC.
CAS Number
2925078-55-1
Smiles
O=C1NC (=O) CCN1C=2C=CC=3C (Br) =CN=CC3C2
Molecular Formula
C13H10BrN3O2
Molecular Weight
320.15
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-(4-Bromoisoquinolin-7-yl)-1,3-diazinane-2,4-dione
CAS Number2925078-55-1
PubChem CID169548863
IUPAC Name1-(4-bromoisoquinolin-7-yl)-1,3-diazinane-2,4-dione
Molecular FormulaC13H10BrN3O2
Molecular Weight320.14
XLogP1.5
Topological Polar Surface Area62.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity390
SMILES
C1CN(C(=O)NC1=O)C2=CC3=CN=CC(=C3C=C2)Br
InChI
InChI=1S/C13H10BrN3O2/c14-11-7-15-6-8-5-9(1-2-10(8)11)17-4-3-12(18)16-13(17)19/h1-2,5-7H,3-4H2,(H,16,18,19)
InChIKey
AKVHPQRJCRHFOM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(4-Bromoisoquinolin-7-yl)-1,3-diazinane-2,4-dione
CAS: 2925078-55-1
CID: 169548863
Formula: C13H10BrN3O2
MW: 320.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight320.14
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass318.99564
Monoisotopic Mass318.99564
Topological Polar Surface Area62.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity390
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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