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CRBN ligand-83

CAT: 0931-T205506-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T205506-01Size:10 mg
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CAS Number
3036607-28-7
Target
Ligand for E3 Ligase
Related Pathways
PROTAC
Bioactivity
CRBN ligand-83 is a ligand of the CRBN-type E3 ubiquitin ligase, suitable for the preparation of PROTACs.
Smiles
O=C1NC(=O)C(C2=CC=C(Br)C(OC)=C2F)CC1
Molecular Formula
C12H11BrFNO3
Molecular Weight
316.123
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-(4-Bromo-2-fluoro-3-methoxyphenyl)piperidine-2,6-dione
CAS Number3036607-28-7
PubChem CID171540858
IUPAC Name3-(4-bromo-2-fluoro-3-methoxyphenyl)piperidine-2,6-dione
Molecular FormulaC12H11BrFNO3
Molecular Weight316.12
XLogP1.8
Topological Polar Surface Area55.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity352
SMILES
COC1=C(C=CC(=C1F)C2CCC(=O)NC2=O)Br
InChI
InChI=1S/C12H11BrFNO3/c1-18-11-8(13)4-2-6(10(11)14)7-3-5-9(16)15-12(7)17/h2,4,7H,3,5H2,1H3,(H,15,16,17)
InChIKey
DCXFGIVYTLYUHP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(4-Bromo-2-fluoro-3-methoxyphenyl)piperidine-2,6-dione
CAS: 3036607-28-7
CID: 171540858
Formula: C12H11BrFNO3
MW: 316.12
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight316.12
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass314.99063
Monoisotopic Mass314.99063
Topological Polar Surface Area55.4 Ų
Heavy Atom Count18
Formal Charge0
Complexity352
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