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CRBN ligand-665

CAT: 0013-GTR19275893-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19275893-01Size:50 mg
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Description
CRBN ligand-665 is a ligand for the E3 ubiquitin ligase cereblon (CRBN), utilized for recruiting cereblon protein. It can be linked through a linker to a target protein ligand to form a PROTAC.
CAS Number
2925094-77-3
Smiles
O=C (O) CN1N=C2C=C (C=CC2=C1) N3C (=O) NC (=O) CC3
Molecular Formula
C13H12N4O4
Molecular Weight
288.26
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-[6-(2,4-dioxo-1,3-diazinan-1-yl)-2H-indazol-2-yl]acetic acid
CAS Number2925094-77-3
PubChem CID169548763
IUPAC Name2-[6-(2,4-dioxo-1,3-diazinan-1-yl)indazol-2-yl]acetic acid
Molecular FormulaC13H12N4O4
Molecular Weight288.26
XLogP-0.1
Topological Polar Surface Area105
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity469
SMILES
C1CN(C(=O)NC1=O)C2=CC3=NN(C=C3C=C2)CC(=O)O
InChI
InChI=1S/C13H12N4O4/c18-11-3-4-17(13(21)14-11)9-2-1-8-6-16(7-12(19)20)15-10(8)5-9/h1-2,5-6H,3-4,7H2,(H,19,20)(H,14,18,21)
InChIKey
BSVYKFQWFOORTG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[6-(2,4-dioxo-1,3-diazinan-1-yl)-2H-indazol-2-yl]acetic acid
CAS: 2925094-77-3
CID: 169548763
Formula: C13H12N4O4
MW: 288.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight288.26
XLogP3-0.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass288.08585488
Monoisotopic Mass288.08585488
Topological Polar Surface Area105 Ų
Heavy Atom Count21
Formal Charge0
Complexity469
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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