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ENPP1 inhibitor 32

CAT: 0931-T201950-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T201950-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2298391-60-1
Bioactivity
ENPP1 inhibitor 32 is an ENPP1 inhibitor with antitumor activity.
Smiles
O=P(O)(O)CCC1CCN(C=2N=CN=C3C(OC)=CC=CC32)CC1
Molecular Formula
C16H22N3O4P
Molecular Weight
351.34
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(2-(1-(8-Methoxyquinazolin-4-yl)piperidin-4-yl)ethyl)phosphonic acid
CAS Number2298391-60-1
PubChem CID138468815
IUPAC Name2-[1-(8-methoxyquinazolin-4-yl)piperidin-4-yl]ethylphosphonic acid
Molecular FormulaC16H22N3O4P
Molecular Weight351.34
XLogP1.2
Topological Polar Surface Area95.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity453
SMILES
COC1=CC=CC2=C1N=CN=C2N3CCC(CC3)CCP(=O)(O)O
InChI
InChI=1S/C16H22N3O4P/c1-23-14-4-2-3-13-15(14)17-11-18-16(13)19-8-5-12(6-9-19)7-10-24(20,21)22/h2-4,11-12H,5-10H2,1H3,(H2,20,21,22)
InChIKey
IXXUGBPAQOKGTM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (2-(1-(8-Methoxyquinazolin-4-yl)piperidin-4-yl)ethyl)phosphonic acid
CAS: 2298391-60-1
CID: 138468815
Formula: C16H22N3O4P
MW: 351.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight351.34
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass351.13479319
Monoisotopic Mass351.13479319
Topological Polar Surface Area95.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity453
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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