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VU0155056

CAT: 0931-T71404-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T71404-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1130067-18-3
Target
Phospholipase
Related Pathways
Metabolism
Purity
0.9915
Bioactivity
VU0155056 is a dual PLD1/2 inhibitor with IC50 = 81 nM for PLD1 and IC50 = 240 nM for PLD2 in in vitro assays, and IC50 < 1 μM in cellular assays, which inhibits breast cancer cell invasion.
Smiles
O=C(NCCN1CCC(N2C(=O)NC=3C=CC=CC32)CC1)C=4C=CC=5C=CC=CC5C4
Molecular Formula
C25H26N4O2
Molecular Weight
414.5
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(2-(4-(2-Oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)-2-naphthamide

N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]ethyl]-2-naphthalenecarboxamide is a naphthalenecarboxamide.

CAS Number1130067-18-3
PubChem CID25105704
IUPAC NameN-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]naphthalene-2-carboxamide
Molecular FormulaC25H26N4O2
Molecular Weight414.5
XLogP4.2
Topological Polar Surface Area64.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity647
SMILES
C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCNC(=O)C4=CC5=CC=CC=C5C=C4
InChI
InChI=1S/C25H26N4O2/c30-24(20-10-9-18-5-1-2-6-19(18)17-20)26-13-16-28-14-11-21(12-15-28)29-23-8-4-3-7-22(23)27-25(29)31/h1-10,17,21H,11-16H2,(H,26,30)(H,27,31)
InChIKey
IXLLRNNFUYEADZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-(4-(2-Oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)-2-naphthamide
CAS: 1130067-18-3
CID: 25105704
Formula: C25H26N4O2
MW: 414.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight414.5
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass414.20557608
Monoisotopic Mass414.20557608
Topological Polar Surface Area64.7 Ų
Heavy Atom Count31
Formal Charge0
Complexity647
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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