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CRBN ligand-162

CAT: 0931-T205165-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T205165-01Size:10 mg
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CAS Number
3036607-75-4
Target
Ligand for E3 Ligase
Related Pathways
PROTAC
Bioactivity
CRBN ligand-162 is a ligand for CRBN-type E3 ubiquitin ligase, suitable for the synthesis of PROTAC.
Smiles
O=C1NC(=O)C(C=2C(Cl)=CC(Br)=CC2C)CC1
Molecular Formula
C12H11BrClNO2
Molecular Weight
316.578
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-(4-Bromo-2-chloro-6-methylphenyl)piperidine-2,6-dione
CAS Number3036607-75-4
PubChem CID171541001
IUPAC Name3-(4-bromo-2-chloro-6-methylphenyl)piperidine-2,6-dione
Molecular FormulaC12H11BrClNO2
Molecular Weight316.58
XLogP2.7
Topological Polar Surface Area46.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count17
Formal Charge0
Complexity336
SMILES
CC1=CC(=CC(=C1C2CCC(=O)NC2=O)Cl)Br
InChI
InChI=1S/C12H11BrClNO2/c1-6-4-7(13)5-9(14)11(6)8-2-3-10(16)15-12(8)17/h4-5,8H,2-3H2,1H3,(H,15,16,17)
InChIKey
KMZUYUQQTTVCTC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(4-Bromo-2-chloro-6-methylphenyl)piperidine-2,6-dione
CAS: 3036607-75-4
CID: 171541001
Formula: C12H11BrClNO2
MW: 316.58
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight316.58
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass314.96617
Monoisotopic Mass314.96617
Topological Polar Surface Area46.2 Ų
Heavy Atom Count17
Formal Charge0
Complexity336
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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HY-W899000CRBN ligand-162
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