I2528557Determine the necessary mass, volume, or concentration for preparing a solution.
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224,000+ research products · Triple ISO certified · COA & SDS available for every product · Same-day shipping on in-stock items
Why this grade
Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications
Specifications & Purity
Moligand™, ≥98%
Storage
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Purity
≥98%
Product Properties
| ALogP | 4.5 |
|---|
Names and Identifiers
| Canonical Smiles | COC1=C(C=C(C=C1)CCNCC2=CC(=C(C=C2)OCC3=CN=C(C=C3)Cl)OC)OC |
|---|---|
| IUPAC Name | N-[[4-[(6-chloropyridin-3-yl)methoxy]-3-methoxyphenyl]methyl]-2-(3,4-dimethoxyphenyl)ethanamine |
| InChIKey | XNPRQBVQOJZMMA-UHFFFAOYSA-N |
| INCHI | 1S/C24H27ClN2O4/c1-28-20-7-4-17(12-22(20)29-2)10-11-26-14-18-5-8-21(23(13-18)30-3)31-16-19-6-9-24(25)27-15-19/h4-9,12-13,15,26H,10-11,14,16H2,1-3H3 |
| Isomeric SMILES | COC1=C(C=C(C=C1)CCNCC2=CC(=C(C=C2)OCC3=CN=C(C=C3)Cl)OC)OC |
| Molecular Weight | 442.94 |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Alkaloids and derivatives
| Kingdom | Organic compounds |
|---|---|
| Superclass | Alkaloids and derivatives |
| Class | Amaryllidaceae alkaloids |
| Subclass | Norbelladine-type amaryllidaceae alkaloids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Norbelladine-type amaryllidaceae alkaloids |
| Alternative Parents | Dimethoxybenzenes Phenethylamines Phenylmethylamines Phenoxy compounds Benzylamines Anisoles Aralkylamines Alkyl aryl ethers 2-halopyridines Aryl chlorides Heteroaromatic compounds Dialkylamines Azacyclic compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Norbelladine skeleton - Dimethoxybenzene - O-dimethoxybenzene - Phenethylamine - Anisole - Benzylamine - Phenol ether - Phenylmethylamine - Phenoxy compound - Methoxybenzene - Aralkylamine - Alkyl aryl ether - 2-halopyridine - Aryl chloride - Benzenoid - Pyridine - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Organoheterocyclic compound - Secondary amine - Azacycle - Secondary aliphatic amine - Ether - Hydrocarbon derivative - Organohalogen compound - Amine - Organochloride - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as norbelladine-type amaryllidaceae alkaloids. These are amaryllidaceae alkaloids compounds containing the norbelladine skeleton. They are derived initially from the condensation of tyramine and protocatechuic aldehyde or its derivatives in plants. |
| External Descriptors | Not available |
3D Structure
Interactive Chemical Structure Model
Associated Targets(Human)
PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)
HT-29 (80576 Activities)
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MCF7 (126967 Activities)
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PC-3 (62116 Activities)
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SK-OV-3 (52876 Activities)
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SKW 6.4 (75 Activities)
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U2OS (164939 Activities)
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A549 (127892 Activities)
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A-431 (6446 Activities)
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HeLa (62764 Activities)
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HCT-15 (51914 Activities)
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Detroit 562 (121 Activities)
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Associated Targets(non-human)
Hdac6 Histone deacetylase 6 (222 Activities)
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Mechanisms of Action
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Molecular Weight | 442.900 g/mol |
|---|---|
| XLogP3 | 4.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 11 |
| Exact Mass | 442.166 Da |
| Monoisotopic Mass | 442.166 Da |
| Topological Polar Surface Area | 61.800 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 500.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Solution Calculators
Reviews
Customer Reviews
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