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CRBN ligand-368

CAT: 0013-GTR19276190-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19276190-01Size:50 mg
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Description
CRBN ligand-368 is a ligand for the E3 ubiquitin ligase cereblon (CRBN) that is used to recruit cereblon proteins. It can be linked to a target protein ligand via a linker to form a PROTAC.
CAS Number
2925084-35-9
Smiles
O=C1NC (=O) CCN1C=2C=CC=3C=NN=C (Cl) C3C2
Molecular Formula
C12H9ClN4O2
Molecular Weight
276.68
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-(4-Chlorophthalazin-6-yl)-1,3-diazinane-2,4-dione
CAS Number2925084-35-9
PubChem CID169548680
IUPAC Name1-(4-chlorophthalazin-6-yl)-1,3-diazinane-2,4-dione
Molecular FormulaC12H9ClN4O2
Molecular Weight276.68
XLogP0.7
Topological Polar Surface Area75.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity392
SMILES
C1CN(C(=O)NC1=O)C2=CC3=C(N=NC=C3C=C2)Cl
InChI
InChI=1S/C12H9ClN4O2/c13-11-9-5-8(2-1-7(9)6-14-16-11)17-4-3-10(18)15-12(17)19/h1-2,5-6H,3-4H2,(H,15,18,19)
InChIKey
LZOHFOUWTOYZIW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(4-Chlorophthalazin-6-yl)-1,3-diazinane-2,4-dione
CAS: 2925084-35-9
CID: 169548680
Formula: C12H9ClN4O2
MW: 276.68
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight276.68
XLogP30.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass276.0414032
Monoisotopic Mass276.0414032
Topological Polar Surface Area75.2 Ų
Heavy Atom Count19
Formal Charge0
Complexity392
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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