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CRBN ligand-534

CAT: 0013-GTR19276281-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19276281-01Size:50 mg
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Description
CRBN ligand-534 is a ligand for the E3 ubiquitin ligase cereblon (CRBN), used to recruit the cereblon protein. Through a linker, CRBN ligand-534 can connect to a target protein ligand to form a PROTAC (proteolysis-targeting chimera) .
CAS Number
2925099-97-2
Smiles
O=C (O) C1=CC=2C (=CC=CC2N3C (=O) NC (=O) CC3) N1
Molecular Formula
C13H11N3O4
Molecular Weight
273.25
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-(2,4-dioxo-1,3-diazinan-1-yl)-1H-indole-2-carboxylic acid
CAS Number2925099-97-2
PubChem CID169548657
IUPAC Name4-(2,4-dioxo-1,3-diazinan-1-yl)-1H-indole-2-carboxylic acid
Molecular FormulaC13H11N3O4
Molecular Weight273.24
XLogP0.6
Topological Polar Surface Area103
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity453
SMILES
C1CN(C(=O)NC1=O)C2=CC=CC3=C2C=C(N3)C(=O)O
InChI
InChI=1S/C13H11N3O4/c17-11-4-5-16(13(20)15-11)10-3-1-2-8-7(10)6-9(14-8)12(18)19/h1-3,6,14H,4-5H2,(H,18,19)(H,15,17,20)
InChIKey
SWQVVHVZMXVQOL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(2,4-dioxo-1,3-diazinan-1-yl)-1H-indole-2-carboxylic acid
CAS: 2925099-97-2
CID: 169548657
Formula: C13H11N3O4
MW: 273.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight273.24
XLogP30.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass273.07495584
Monoisotopic Mass273.07495584
Topological Polar Surface Area103 Ų
Heavy Atom Count20
Formal Charge0
Complexity453
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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