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CRBN ligand-758

CAT: 0013-GTR19276946-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19276946-01Size:10 mg
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Description
CRBN ligand-758 is an E3 ubiquitin ligase cereblon (CRBN) ligand used for recruiting the cereblon protein. It can be connected to a target protein ligand through a linker to form a PROTAC.
CAS Number
2925100-01-0
Smiles
O=C (O) C=1C=C2C (C=NN2C) =C (C1) N3C (=O) NC (=O) CC3
Molecular Formula
C13H12N4O4
Molecular Weight
288.26
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-(2,4-dioxo-1,3-diazinan-1-yl)-1-methyl-1H-indazole-6-carboxylic acid
CAS Number2925100-01-0
PubChem CID169548771
IUPAC Name4-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazole-6-carboxylic acid
Molecular FormulaC13H12N4O4
Molecular Weight288.26
XLogP-0.2
Topological Polar Surface Area105
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity483
SMILES
CN1C2=C(C=N1)C(=CC(=C2)C(=O)O)N3CCC(=O)NC3=O
InChI
InChI=1S/C13H12N4O4/c1-16-9-4-7(12(19)20)5-10(8(9)6-14-16)17-3-2-11(18)15-13(17)21/h4-6H,2-3H2,1H3,(H,19,20)(H,15,18,21)
InChIKey
YHJCRJGTIGCDKB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(2,4-dioxo-1,3-diazinan-1-yl)-1-methyl-1H-indazole-6-carboxylic acid
CAS: 2925100-01-0
CID: 169548771
Formula: C13H12N4O4
MW: 288.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight288.26
XLogP3-0.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass288.08585488
Monoisotopic Mass288.08585488
Topological Polar Surface Area105 Ų
Heavy Atom Count21
Formal Charge0
Complexity483
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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