Products for Research Use Only
RegisterLogin

ZINC12613047

CAT: 0607-C3580-5Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0607-C3580-5Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
butyrylcholinesterase (BChE) inhibitor
CAS Number
1069521-64-7
Product Name Alternative
N-[[1-(2,3-dihydro-1H-inden-2-yl)-3-piperidinyl]methyl]-N-(2-methoxyethyl)-2-naphthalenecarboxamide
Field of Research
Others Cholinesterases
Purity
≥95.00%
Form
A crystalline solid
Solubility
≤5mg/ml in ethanol;10mg/ml in DMSO
Smiles
COCCN(C(C1=CC(C=CC=C2)=C2C=C1)=O)CC3CCCN(C4CC(C=CC=C5)=C5C4)C3
Molecular Formula
C29H34N2O2
Molecular Weight
442.6
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)naphthalene-2-carboxamide
CAS Number1069521-64-7
PubChem CID45214445
IUPAC NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)naphthalene-2-carboxamide
Molecular FormulaC29H34N2O2
Molecular Weight442.6
XLogP5.3
Topological Polar Surface Area32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity625
SMILES
COCCN(CC1CCCN(C1)C2CC3=CC=CC=C3C2)C(=O)C4=CC5=CC=CC=C5C=C4
InChI
InChI=1S/C29H34N2O2/c1-33-16-15-31(29(32)27-13-12-23-8-2-3-9-24(23)17-27)21-22-7-6-14-30(20-22)28-18-25-10-4-5-11-26(25)19-28/h2-5,8-13,17,22,28H,6-7,14-16,18-21H2,1H3
InChIKey
NRBCHFHGWACYAH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)naphthalene-2-carboxamide
CAS: 1069521-64-7
CID: 45214445
Formula: C29H34N2O2
MW: 442.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight442.6
XLogP35.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass442.262028332
Monoisotopic Mass442.262028332
Topological Polar Surface Area32.8 Ų
Heavy Atom Count33
Formal Charge0
Complexity625
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Popular Products