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CRBN ligand-598

CAT: 0013-GTR19276147-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19276147-01Size:10 mg
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Description
CRBN ligand-598 is an E3 ubiquitin ligase cereblon (CRBN) ligand designed to recruit cereblon proteins. CRBN ligand-598 can be attached via a linker to a target protein ligand to form a PROTAC.
CAS Number
2925073-82-9
Smiles
O=C1NC (=O) CCN1C2=CC=C (N) C3=CN (N=C32) C
Molecular Formula
C12H13N5O2
Molecular Weight
259.27
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-(4-amino-2-methyl-2H-indazol-7-yl)-1,3-diazinane-2,4-dione
CAS Number2925073-82-9
PubChem CID169548543
IUPAC Name1-(4-amino-2-methylindazol-7-yl)-1,3-diazinane-2,4-dione
Molecular FormulaC12H13N5O2
Molecular Weight259.26
XLogP-0.4
Topological Polar Surface Area93.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity402
SMILES
CN1C=C2C(=CC=C(C2=N1)N3CCC(=O)NC3=O)N
InChI
InChI=1S/C12H13N5O2/c1-16-6-7-8(13)2-3-9(11(7)15-16)17-5-4-10(18)14-12(17)19/h2-3,6H,4-5,13H2,1H3,(H,14,18,19)
InChIKey
FVLNCOQBNXRMCK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(4-amino-2-methyl-2H-indazol-7-yl)-1,3-diazinane-2,4-dione
CAS: 2925073-82-9
CID: 169548543
Formula: C12H13N5O2
MW: 259.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight259.26
XLogP3-0.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass259.10692467
Monoisotopic Mass259.10692467
Topological Polar Surface Area93.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity402
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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