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· · COA & SDS available for every product · Same-day shipping on in-stock items (E,2S)-N-(3-bromophenyl)-N'-cyano-2-methyl-4-{5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperazine-1-carboximidamide - Moligand™ , Inhibitor of LIM domain kinase 1;Inhibitor of LIM domain kinase 2, CAS No.1116571-01-7, Inhibitor of LIM domain kinase 1;Inhibitor of LIM domain kinase 2
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
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Why this grade Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Specifications & Purity
Moligand™
Mechanism of action
Inhibitor of LIM domain kinase 1;Inhibitor of LIM domain kinase 2
Names and Identifiers Canonical Smiles CC1CN(CCN1C(=NC2=CC(=CC=C2)Br)NC#N)C3=NC=NC4=C3C(=CN4)C IUPAC Name (2S)-N'-(3-bromophenyl)-N-cyano-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboximidamide InChIKey KSECQYDNQYAZMQ-AWEZNQCLSA-N INCHI 1S/C20H21BrN8/c1-13-9-23-18-17(13)19(26-12-25-18)28-6-7-29(14(2)10-28)20(24-11-22)27-16-5-3-4-15(21)8-16/h3-5,8-9,12,14H,6-7,10H2,1-2H3,(H,24,27)(H,23,25,26)/t14-/m0/s1 Isomeric SMILES C[C@H]1CN(CCN1C(=NC2=CC(=CC=C2)Br)NC#N)C3=NC=NC4=C3C(=CN4)C PubChem CID 44477445 Molecular Weight 453.3
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 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 453.300 g/mol XLogP3 3.600 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 4 Exact Mass 452.107 Da Monoisotopic Mass 452.107 Da Topological Polar Surface Area 96.200 Ų Heavy Atom Count 29 Formal Charge 0 Complexity 648.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 1 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
Citations of This Product References 1. Xiao Jia, Qi Zhou, Dou Huang, Nawei Zhang, Shasha Qu, Qi An, Qingshan Wang, Jingnan Ren, Hongyan Zhang, Siyi Pan, Gang Fan. (2023) Insight into the comparison of key aroma-active compounds between camellia oils from different processing technology. FOOD CHEMISTRY, [PMID:37557030 ] [10.1016/j.foodchem.2023.137090 ]
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Reconstitution Calculator Reviews Need help choosing the grade? Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →
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