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CRBN ligand-47

CAT: 0931-T205145-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T205145-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3059455-81-8
Target
Ligand for E3 Ligase
Related Pathways
PROTAC
Bioactivity
CRBN ligand-47 is a ligand for the cereblon (CRBN) type E3 ubiquitin ligase, suitable for use in the development of PROTAC.
Smiles
O=C1NC(=O)C(C2=CC=C(Br)C(F)=C2)CC1
Molecular Formula
C11H9BrFNO2
Molecular Weight
286.097
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CRBN ligand-47
CAS Number3059455-81-8
PubChem CID172353333
IUPAC Name3-(4-bromo-3-fluorophenyl)piperidine-2,6-dione
Molecular FormulaC11H9BrFNO2
Molecular Weight286.10
XLogP1.8
Topological Polar Surface Area46.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity310
SMILES
C1CC(=O)NC(=O)C1C2=CC(=C(C=C2)Br)F
InChI
InChI=1S/C11H9BrFNO2/c12-8-3-1-6(5-9(8)13)7-2-4-10(15)14-11(7)16/h1,3,5,7H,2,4H2,(H,14,15,16)
InChIKey
ZGHWERNWIZBUGO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CRBN ligand-47
CAS: 3059455-81-8
CID: 172353333
Formula: C11H9BrFNO2
MW: 286.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight286.10
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass284.98007
Monoisotopic Mass284.98007
Topological Polar Surface Area46.2 Ų
Heavy Atom Count16
Formal Charge0
Complexity310
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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