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· · COA & SDS available for every product · Same-day shipping on in-stock items Ro31-8220 - Moligand™ , CAS No.R613239
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. Synonyms
3-{3-[4-(1-methyl-1H-indol-3-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1H-indol-1-yl}propyl carbamimidothioate | Bisindolylmaleimide 11b | EX-A384 | Ro 31 8220 | 3-(3-(4-(1-methyl-1h-indol-3-yl)-2,5-dioxo-2,5-dihydro-1h-pyrrol-3-yl)-1h-indol-1-yl)propyl c
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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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
3-{3-[4-(1-methyl-1H-indol-3-yl)-2, 5-dioxo-2, 5-dihydro-1H-pyrrol-3-yl]-1H-indol-1-yl}propyl carbamimidothioate | Bisindolylmaleimide 11b | EX-A384 | Ro 31 8220 | 3-(3-(4-(1-methyl-1h-indol-3-yl)-2, 5-dioxo-2, 5-dihydro-1h-pyrrol-3-yl)-1h-indol-1-yl)propyl c
Specifications & Purity
Moligand™
Names and Identifiers Canonical Smiles NC(=N)SCCCn1cc(c2c1cccc2)C1=C(C(=O)NC1=O)c1cn(c2c1cccc2)C IUPAC Name 3-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]propylsulfanylmethanimidamide InChIKey DSXXEELGXBCYNQ-UHFFFAOYSA-N INCHI 1S/C25H23N5O2S/c1-29-13-17(15-7-2-4-9-19(15)29)21-22(24(32)28-23(21)31)18-14-30(11-6-12-33-25(26)27)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12H2,1H3,(H3,26,27)(H,28,31,32) Isomeric SMILES CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCSC(=N)N PubChem CID 5083
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 N-alkylindoles Intermediate Tree Nodes Not available Direct Parent N-alkylindoles Alternative Parents Indoles N-methylpyrroles Benzenoids Heteroaromatic compounds N-acylimines Isothioureas Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Carboximidamides Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents N-alkylindole - Indole - N-methylpyrrole - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - N-acylimine - Isothiourea - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Sulfenyl compound - Carboximidamide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - Imine - Organic oxide - Carbonyl group - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as n-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 1-position. External Descriptors indoles - maleimides - imidothiocarbamic ester 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) Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 457.500 g/mol XLogP3 3.000 Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 7 Exact Mass 457.157 Da Monoisotopic Mass 457.157 Da Topological Polar Surface Area 131.000 Ų Heavy Atom Count 33 Formal Charge 0 Complexity 845.000 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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