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CRBN ligand-689

CAT: 0013-GTR19275853-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19275853-01Size:10 mg
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Description
CRBN ligand-689 is a ligand of the E3 ubiquitin ligase cereblon (CRBN), designed to recruit cereblon proteins. This ligand can be linked via a linker to a target protein ligand to form a PROTAC.
CAS Number
2925097-53-4
Smiles
O=CC1=CC (=CC=2C=CN (C12) C) N3C (=O) NC (=O) CC3
Molecular Formula
C14H13N3O3
Molecular Weight
271.28
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-(2,4-dioxo-1,3-diazinan-1-yl)-1-methyl-1H-indole-7-carbaldehyde
CAS Number2925097-53-4
PubChem CID169548605
IUPAC Name5-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindole-7-carbaldehyde
Molecular FormulaC14H13N3O3
Molecular Weight271.27
XLogP0.1
Topological Polar Surface Area71.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity439
SMILES
CN1C=CC2=CC(=CC(=C21)C=O)N3CCC(=O)NC3=O
InChI
InChI=1S/C14H13N3O3/c1-16-4-2-9-6-11(7-10(8-18)13(9)16)17-5-3-12(19)15-14(17)20/h2,4,6-8H,3,5H2,1H3,(H,15,19,20)
InChIKey
IOIXVLBEPWUKHD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(2,4-dioxo-1,3-diazinan-1-yl)-1-methyl-1H-indole-7-carbaldehyde
CAS: 2925097-53-4
CID: 169548605
Formula: C14H13N3O3
MW: 271.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight271.27
XLogP30.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass271.09569129
Monoisotopic Mass271.09569129
Topological Polar Surface Area71.4 Ų
Heavy Atom Count20
Formal Charge0
Complexity439
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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