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CRBN ligand-538

CAT: 0013-GTR19275619-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19275619-01Size:10 mg
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Description
CRBN ligand-538 is an E3 ubiquitin ligase cereblon (CRBN) ligand used for recruiting cereblon proteins. It can be attached via a linker to a target protein ligand to form a PROTAC.
CAS Number
2925097-55-6
Smiles
O=C (O) C1=CNC=2C=CC (=CC21) N3C (=O) NC (=O) CC3
Molecular Formula
C13H11N3O4
Molecular Weight
273.25
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-(2,4-dioxo-1,3-diazinan-1-yl)-1H-indole-3-carboxylic acid
CAS Number2925097-55-6
PubChem CID169548648
IUPAC Name5-(2,4-dioxo-1,3-diazinan-1-yl)-1H-indole-3-carboxylic acid
Molecular FormulaC13H11N3O4
Molecular Weight273.24
XLogP0.3
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=CC3=C(C=C2)NC=C3C(=O)O
InChI
InChI=1S/C13H11N3O4/c17-11-3-4-16(13(20)15-11)7-1-2-10-8(5-7)9(6-14-10)12(18)19/h1-2,5-6,14H,3-4H2,(H,18,19)(H,15,17,20)
InChIKey
KDNWKJDMHJNIOM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(2,4-dioxo-1,3-diazinan-1-yl)-1H-indole-3-carboxylic acid
CAS: 2925097-55-6
CID: 169548648
Formula: C13H11N3O4
MW: 273.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight273.24
XLogP30.3
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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