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VU0155069

CAT: 0931-T17239-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T17239-05Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1130067-06-9
Target
Phospholipase
Related Pathways
Metabolism
Purity
0.99502
Bioactivity
VU0155069 strongly inhibits the invasive migration of several cancer cell lines in transwell assays. VU0155069 is a selective phospholipase D1 inhibitor (IC50: 46 nM in vitro) .
Smiles
Cl.C[C@@H](CN1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O)NC(=O)c1ccc2ccccc2c1
Molecular Formula
C26H27ClN4O2
Molecular Weight
462.97
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-[(2S)-1-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]naphthalene-2-carboxamide;hydrochloride
CAS Number1130067-06-9
PubChem CID56972237
IUPAC NameN-[(2S)-1-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]naphthalene-2-carboxamide;hydrochloride
Molecular FormulaC26H28Cl2N4O2
Molecular Weight499.4
Topological Polar Surface Area64.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity712
SMILES
C[C@@H](CN1CCC(CC1)N2C3=C(C=C(C=C3)Cl)NC2=O)NC(=O)C4=CC5=CC=CC=C5C=C4.Cl
InChI
InChI=1S/C26H27ClN4O2.ClH/c1-17(28-25(32)20-7-6-18-4-2-3-5-19(18)14-20)16-30-12-10-22(11-13-30)31-24-9-8-21(27)15-23(24)29-26(31)33;/h2-9,14-15,17,22H,10-13,16H2,1H3,(H,28,32)(H,29,33);1H/t17-;/m0./s1
InChIKey
RQULTQQAHGYYDG-LMOVPXPDSA-N
Chemical Structure
2D Structure
2D structure of N-[(2S)-1-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]naphthalene-2-carboxamide;hydrochloride
CAS: 1130067-06-9
CID: 56972237
Formula: C26H28Cl2N4O2
MW: 499.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight499.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass498.1589315
Monoisotopic Mass498.1589315
Topological Polar Surface Area64.7 Ų
Heavy Atom Count34
Formal Charge0
Complexity712
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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HY-108612-01VU0155069
A19933-10VU0155069 10mg
A19933-1VU0155069 1mg
A19933-25VU0155069 25mg
A19933-5VU0155069 5mg
C06971CAY10593 (VU0155069)
HY-108612AVU0155069 (hydrochloride)
A19933-100VU0155069 100mg
A19933-50VU0155069 50mg
A19933-2VU0155069 2mg

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