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CRBN ligand-84

CAT: 0931-T205143-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T205143-01Size:10 mg
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CAS Number
3065251-76-2
Target
Ligand for E3 Ligase
Related Pathways
PROTAC
Bioactivity
CRBN ligand-84 is a CRBN-type E3 ubiquitin ligase ligand, suitable for use in the development of PROTAC [proteolysis-targeting chimera].
Smiles
O=C1NC(=O)C(C2=C(F)C=C(Br)C=C2Cl)CC1
Molecular Formula
C11H8BrClFNO2
Molecular Weight
320.542
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-(4-Bromo-2-chloro-6-fluorophenyl)piperidine-2,6-dione
CAS Number3065251-76-2
PubChem CID176157394
IUPAC Name3-(4-bromo-2-chloro-6-fluorophenyl)piperidine-2,6-dione
Molecular FormulaC11H8BrClFNO2
Molecular Weight320.54
XLogP2.4
Topological Polar Surface Area46.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count17
Formal Charge0
Complexity341
SMILES
C1CC(=O)NC(=O)C1C2=C(C=C(C=C2Cl)Br)F
InChI
InChI=1S/C11H8BrClFNO2/c12-5-3-7(13)10(8(14)4-5)6-1-2-9(16)15-11(6)17/h3-4,6H,1-2H2,(H,15,16,17)
InChIKey
IKPSVIGFJBRJTK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(4-Bromo-2-chloro-6-fluorophenyl)piperidine-2,6-dione
CAS: 3065251-76-2
CID: 176157394
Formula: C11H8BrClFNO2
MW: 320.54
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight320.54
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass318.94110
Monoisotopic Mass318.94110
Topological Polar Surface Area46.2 Ų
Heavy Atom Count17
Formal Charge0
Complexity341
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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