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E3 ligase Ligand 56

CAT: 0931-T205399-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T205399-01Size:10 mg
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CAS Number
1472731-41-1
Target
Ligand for E3 Ligase
Related Pathways
PROTAC
Bioactivity
E3 Ligase Ligand 56 is a ligand for the E3 ligase Cereblon, and it can be utilized in the synthesis of [PROTACCDK9degrader-11].
Smiles
O=C1NC(=O)C(NC=2C=CC=C(N)C2)CC1
Molecular Formula
C11H13N3O2
Molecular Weight
219.24
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-((3-Aminophenyl)amino)piperidine-2,6-dione
CAS Number1472731-41-1
PubChem CID65954877
IUPAC Name3-(3-aminoanilino)piperidine-2,6-dione
Molecular FormulaC11H13N3O2
Molecular Weight219.24
XLogP0.5
Topological Polar Surface Area84.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity293
SMILES
C1CC(=O)NC(=O)C1NC2=CC=CC(=C2)N
InChI
InChI=1S/C11H13N3O2/c12-7-2-1-3-8(6-7)13-9-4-5-10(15)14-11(9)16/h1-3,6,9,13H,4-5,12H2,(H,14,15,16)
InChIKey
HWWKOVGSUZFLBU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-((3-Aminophenyl)amino)piperidine-2,6-dione
CAS: 1472731-41-1
CID: 65954877
Formula: C11H13N3O2
MW: 219.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight219.24
XLogP30.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass219.100776666
Monoisotopic Mass219.100776666
Topological Polar Surface Area84.2 Ų
Heavy Atom Count16
Formal Charge0
Complexity293
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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