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CRBN ligand-221

CAT: 0013-GTR19275776-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19275776-01Size:50 mg
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Description
CRBN ligand-221 is a ligand for the E3 ubiquitin ligase cereblon (CRBN), utilized for recruiting cereblon proteins. It can be linked through a linker to a target protein ligand to form a PROTAC.
CAS Number
2412058-81-0
Smiles
O=C1NC (=O) C (N2C (=O) CC=3C (N) =CC=CC32) CC1
Molecular Formula
C13H13N3O3
Molecular Weight
259.27
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-(4-Amino-2-oxoindolin-1-yl)piperidine-2,6-dione
CAS Number2412058-81-0
PubChem CID146410616
IUPAC Name3-(4-amino-2-oxo-3H-indol-1-yl)piperidine-2,6-dione
Molecular FormulaC13H13N3O3
Molecular Weight259.26
XLogP-0.5
Topological Polar Surface Area92.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity437
SMILES
C1CC(=O)NC(=O)C1N2C(=O)CC3=C(C=CC=C32)N
InChI
InChI=1S/C13H13N3O3/c14-8-2-1-3-9-7(8)6-12(18)16(9)10-4-5-11(17)15-13(10)19/h1-3,10H,4-6,14H2,(H,15,17,19)
InChIKey
ZFTTVQZMEYDSJG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(4-Amino-2-oxoindolin-1-yl)piperidine-2,6-dione
CAS: 2412058-81-0
CID: 146410616
Formula: C13H13N3O3
MW: 259.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight259.26
XLogP3-0.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass259.09569129
Monoisotopic Mass259.09569129
Topological Polar Surface Area92.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity437
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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