Products for Research Use Only

VU0155069 hydrochloride

CAT: 0013-GTR19232624-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19232624-01Size:50 mg
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Description
VU0155069 hydrochloride is a potent, selective phospholipase D (PLD) inhibitor with IC50 values of 46 nM for PLD1 and 933 nM for PLD2. This compound is a valuable research tool for studying PLD's role in cancer cell migration, as demonstrated in in vitro studies using human and mouse breast cancer cell lines.
CAS Number
1781834-89-6
Field of Research
Metabolism Research
Smiles
O=C1N (C=2C (N1) =CC (Cl) =CC2) C3CCN (C[C@@H] (NC (=O) C4=CC5=C (C=C4) C=CC=C5) C) CC3.Cl
Molecular Formula
C26H28Cl2N4O2
Molecular Weight
499.43
Storage Conditions
-20°C
Notes
For research use only.

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 Number1781834-89-6
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: 1781834-89-6
CID: 56972237
Formula: C26H28Cl2N4O2
MW: 499.4
Interactive 3D Structure
Loading 3D structure...
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