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VU0405601

CAT: 0013-GTR19196176-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196176-03Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
VU0405601
CAS Number
712325-30-9
Product Name Alternative
VU0405601, VU-0405601, VU 0405601
Field of Research
Pharmacology & Drug Discovery
Purity
99.16% (May vary between batches)
Solubility
10% DMSO+90% Corn Oil:3.3 mg/mL (9.24 mM) ; DMSO:80 mg/mL (223.96 mM)
Smiles
O=C (NC=1C=NC=CC1) COC=2C=CC=3C=CC=CC3C2Br
Molecular Formula
C17H13BrN2O2
Molecular Weight
357.2
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

VU0405601

reduces sensitivity of hERG to inhibition by multiple blockers and prevents arrhythmias; structure in first source

CAS Number712325-30-9
PubChem CID1301094
IUPAC Name2-(1-bromonaphthalen-2-yl)oxy-N-pyridin-3-ylacetamide
Molecular FormulaC17H13BrN2O2
Molecular Weight357.2
XLogP3.7
Topological Polar Surface Area51.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity380
SMILES
C1=CC=C2C(=C1)C=CC(=C2Br)OCC(=O)NC3=CN=CC=C3
InChI
InChI=1S/C17H13BrN2O2/c18-17-14-6-2-1-4-12(14)7-8-15(17)22-11-16(21)20-13-5-3-9-19-10-13/h1-10H,11H2,(H,20,21)
InChIKey
WLLRAGBPCSOJNH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of VU0405601
CAS: 712325-30-9
CID: 1301094
Formula: C17H13BrN2O2
MW: 357.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight357.2
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass356.01604
Monoisotopic Mass356.01604
Topological Polar Surface Area51.2 Ų
Heavy Atom Count22
Formal Charge0
Complexity380
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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