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VU 0364739 hydrochloride

CAT: 0607-B7603-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B7603-10Size:10 mg
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Description
phospholipase D2 (PLD2) inhibitor
CAS Number
1244640-48-9
Product Name Alternative
(Z)-N-(2-(1-(3-fluorophenyl)-4-hydroxy-1,3,8-triazaspiro[4.5]dec-3-en-8-yl)ethyl)-2-naphthimidic acid hydrochloride
Field of Research
Metabolism Phospholipase
Purity
0.98
Form
White solid
Solubility
<48.3mg/ml in DMSO
Smiles
FC1=CC(N2CN=C(O)C32CCN(CC/N=C(O)/C4=CC5=CC=CC=C5C=C4)CC3)=CC=C1.Cl
Molecular Formula
C26H27FN4O2·HCl
Molecular Weight
482.98
Shipping Conditions
Blue ice
Storage Conditions
Desiccate at RT.

Chemical Information

VU 0364739 hydrochloride
CAS Number1244640-48-9
PubChem CID46939225
IUPAC NameN-[2-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]naphthalene-2-carboxamide;hydrochloride
Molecular FormulaC26H28ClFN4O2
Molecular Weight483.0
Topological Polar Surface Area64.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity710
SMILES
C1CN(CCC12C(=O)NCN2C3=CC(=CC=C3)F)CCNC(=O)C4=CC5=CC=CC=C5C=C4.Cl
InChI
InChI=1S/C26H27FN4O2.ClH/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);1H
InChIKey
RYLAMDMOILNBKN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of VU 0364739 hydrochloride
CAS: 1244640-48-9
CID: 46939225
Formula: C26H28ClFN4O2
MW: 483.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight483.0
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass482.1884820
Monoisotopic Mass482.1884820
Topological Polar Surface Area64.7 Ų
Heavy Atom Count34
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 Count2
Compound Is CanonicalizedYes

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