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NU-7107

CAT: 0931-T69180-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T69180-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
503465-21-2
Target
Others
Related Pathways
Others
Bioactivity
NU-7107 is a potent DNA-PK inhibitor with potential anticancer activity.
Smiles
O=C1N2C(C=3C(C=C2)=CC=CC3)=NC(=C1)N4C[C@H](C)O[C@H](C)C4
Molecular Formula
C18H19N3O2
Molecular Weight
309.36
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-((2S,6R)-2,6-Dimethyl-morpholin-4-yl)-pyrimido[2,1-a]isoquinolin-4-one
CAS Number503465-21-2
PubChem CID11771277
IUPAC Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimido[2,1-a]isoquinolin-4-one
Molecular FormulaC18H19N3O2
Molecular Weight309.4
XLogP2.1
Topological Polar Surface Area45.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity585
SMILES
C[C@@H]1CN(C[C@@H](O1)C)C2=CC(=O)N3C=CC4=CC=CC=C4C3=N2
InChI
InChI=1S/C18H19N3O2/c1-12-10-20(11-13(2)23-12)16-9-17(22)21-8-7-14-5-3-4-6-15(14)18(21)19-16/h3-9,12-13H,10-11H2,1-2H3/t12-,13+
InChIKey
WEXIWJYAPCUIPH-BETUJISGSA-N
Chemical Structure
2D Structure
2D structure of 2-((2S,6R)-2,6-Dimethyl-morpholin-4-yl)-pyrimido[2,1-a]isoquinolin-4-one
CAS: 503465-21-2
CID: 11771277
Formula: C18H19N3O2
MW: 309.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight309.4
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass309.147726857
Monoisotopic Mass309.147726857
Topological Polar Surface Area45.1 Ų
Heavy Atom Count23
Formal Charge0
Complexity585
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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