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NU-7199

CAT: 0931-T68843-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T68843-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
69541-04-4
Target
Others
Related Pathways
Others
Bioactivity
NU-7199 is a potent DNA-PK inhibitor with potential anticancer activity.
Smiles
O=C1C=2C(=C3C(=CC2)C=CC=C3)OC(N(CCO)CCO)=C1
Molecular Formula
C17H17NO4
Molecular Weight
299.32
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-[Bis(2-hydroxyethyl)amino]benzo[h]chromen-4-one
CAS Number69541-04-4
PubChem CID59335361
IUPAC Name2-[bis(2-hydroxyethyl)amino]benzo[h]chromen-4-one
Molecular FormulaC17H17NO4
Molecular Weight299.32
XLogP1.8
Topological Polar Surface Area70
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity430
SMILES
C1=CC=C2C(=C1)C=CC3=C2OC(=CC3=O)N(CCO)CCO
InChI
InChI=1S/C17H17NO4/c19-9-7-18(8-10-20)16-11-15(21)14-6-5-12-3-1-2-4-13(12)17(14)22-16/h1-6,11,19-20H,7-10H2
InChIKey
LWJFQWULMGFQKX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[Bis(2-hydroxyethyl)amino]benzo[h]chromen-4-one
CAS: 69541-04-4
CID: 59335361
Formula: C17H17NO4
MW: 299.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight299.32
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass299.11575802
Monoisotopic Mass299.11575802
Topological Polar Surface Area70 Ų
Heavy Atom Count22
Formal Charge0
Complexity430
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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