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CRBN ligand-227

CAT: 0013-GTR19275653-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19275653-01Size:10 mg
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Description
CRBN ligand-227 is a ligand for cereblon (CRBN) E3 ubiquitin ligase, designed to recruit cereblon proteins. It can be linked to a target protein ligand via a linker to form a PROTAC.
CAS Number
1482078-60-3
Smiles
O=C (NC1C (=O) NC (=O) CC1) C2=CC=C (N) C=C2F
Molecular Formula
C12H12FN3O3
Molecular Weight
265.24
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-amino-N-(2,6-dioxopiperidin-3-yl)-2-fluorobenzamide
CAS Number1482078-60-3
PubChem CID65956251
IUPAC Name4-amino-N-(2,6-dioxopiperidin-3-yl)-2-fluorobenzamide
Molecular FormulaC12H12FN3O3
Molecular Weight265.24
XLogP-0.2
Topological Polar Surface Area101
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity402
SMILES
C1CC(=O)NC(=O)C1NC(=O)C2=C(C=C(C=C2)N)F
InChI
InChI=1S/C12H12FN3O3/c13-8-5-6(14)1-2-7(8)11(18)15-9-3-4-10(17)16-12(9)19/h1-2,5,9H,3-4,14H2,(H,15,18)(H,16,17,19)
InChIKey
PDXLABFIWQGDLW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-amino-N-(2,6-dioxopiperidin-3-yl)-2-fluorobenzamide
CAS: 1482078-60-3
CID: 65956251
Formula: C12H12FN3O3
MW: 265.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight265.24
XLogP3-0.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass265.08626942
Monoisotopic Mass265.08626942
Topological Polar Surface Area101 Ų
Heavy Atom Count19
Formal Charge0
Complexity402
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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