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· · COA & SDS available for every product · Same-day shipping on in-stock items MELK-IN-1 - ≥98% , CAS No.2095596-44-2
Shipped In
Ice chest + Ice pads
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Overview MELK-IN-1 is a potent inhibitor of maternal embryonic leucine zipper kinase (MELK) with an IC 50 and a K i of 3 nM and 0.39 nM, respectively.
Form:Solid
IC50& Target:IC50: 3 nM (MELK) Ki: 0.39 nM (MELK)
Specifications Specifications & Purity
≥98%
Biochemical and Physiological Mechanisms
MELK-IN-1 is a potent inhibitor of maternal embryonic leucine zipper kinase (MELK) with an IC 50 and a K i of 3 nM and 0.39 nM, respectively.
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Canonical Smiles CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=C(C=C5)C(=O)OC)O IUPAC Name methyl 2-hydroxy-3-[N-[4-[methyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]-C-phenylcarbonimidoyl]-1H-indole-5-carboxylate InChIKey XIMRJNBUWJTLAL-UHFFFAOYSA-N INCHI 1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-19-22(31(39)40-3)9-14-26(25)33-30(28)38/h4-14,19,33,38H,15-18,20H2,1-3H3 Isomeric SMILES CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=C(C=C5)C(=O)OC)O PubChem CID 137248544 Molecular Weight 539.62
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 → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Indoles and derivatives Subclass Indolecarboxylic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Indolecarboxylic acids Alternative Parents N-piperazineacetamides Hydroxyindoles Alpha amino acids and derivatives Indoles Anilides N-methylpiperazines Substituted pyrroles Tertiary carboxylic acid amides Secondary ketimines Methyl esters Heteroaromatic compounds Azomethines Trialkylamines Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents Indolecarboxylic acid - Hydroxyindole - N-piperazineacetamide - Alpha-amino acid or derivatives - Anilide - Indole - N-alkylpiperazine - N-methylpiperazine - Benzenoid - Substituted pyrrole - Piperazine - 1,4-diazinane - Monocyclic benzene moiety - Heteroaromatic compound - Methyl ester - Tertiary carboxylic acid amide - Secondary ketimine - Pyrrole - Azomethine - Tertiary aliphatic amine - Tertiary amine - Ketimine - Carboxylic acid ester - Carboxamide group - Amino acid or derivatives - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Imine - Carbonyl group - Amine - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as indolecarboxylic acids. These are compounds containing a carboxylic acid group linked to an indole. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility DMSO : 1 mg/mL (1.85 mM; ultrasonic and warming and heat to 60°C) Molecular Weight 539.600 g/mol XLogP3 4.300 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 7 Rotatable Bond Count 8 Exact Mass 539.253 Da Monoisotopic Mass 539.253 Da Topological Polar Surface Area 101.000 Ų Heavy Atom Count 40 Formal Charge 0 Complexity 892.000 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
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