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VU0364739

CAT: 0931-T78161-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T78161-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1244639-78-8
Target
Phospholipase
Related Pathways
Metabolism
Bioactivity
VU0364739, a selective phospholipase D2 (PLD2) inhibitor with an IC50 of 22 nM, effectively reduces cancer cell proliferation [1].
Smiles
O=C(NCCN1CCC2(C(=O)NCN2C=3C=CC=C(F)C3)CC1)C=4C=CC=5C=CC=CC5C4
Molecular Formula
C26H27FN4O2
Molecular Weight
446.52
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

VU0364739
CAS Number1244639-78-8
PubChem CID46937439
IUPAC NameN-[2-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]naphthalene-2-carboxamide
Molecular FormulaC26H27FN4O2
Molecular Weight446.5
XLogP4
Topological Polar Surface Area64.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity710
SMILES
C1CN(CCC12C(=O)NCN2C3=CC(=CC=C3)F)CCNC(=O)C4=CC5=CC=CC=C5C=C4
InChI
InChI=1S/C26H27FN4O2/c27-22-6-3-7-23(17-22)31-18-29-25(33)26(31)10-13-30(14-11-26)15-12-28-24(32)21-9-8-19-4-1-2-5-20(19)16-21/h1-9,16-17H,10-15,18H2,(H,28,32)(H,29,33)
InChIKey
MSTXJJGAXXJCBY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of VU0364739
CAS: 1244639-78-8
CID: 46937439
Formula: C26H27FN4O2
MW: 446.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight446.5
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass446.21180428
Monoisotopic Mass446.21180428
Topological Polar Surface Area64.7 Ų
Heavy Atom Count33
Formal Charge0
Complexity710
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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