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· · COA & SDS available for every product · Same-day shipping on in-stock items AI-10-49 - ≥98% , CAS No.1256094-72-0
Synonyms
CCG-270339 | MS-31015 | HY-16786 | 1H-Benzimidazole, 2,2-(oxybis(2,1-ethanediyloxy-5,2-pyridinediyl))bis(6-(trifluoromethoxy)- | 6-(trifluoromethoxy)-2-(5-{2-[2-({6-[6-(trifluoromethoxy)-1H-1,3-benzodiazol-2-yl]pyridin-3-yl}oxy)ethoxy]ethoxy}pyridin-2-yl)
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 AI-10-49 is a selective inhibitor of the binding of CBFβ-SMMHC to RUNX1 with IC50 of 260 nM.
Specifications Synonyms
CCG-270339 | MS-31015 | HY-16786 | 1H-Benzimidazole, 2, 2-(oxybis(2, 1-ethanediyloxy-5, 2-pyridinediyl))bis(6-(trifluoromethoxy)- | 6-(trifluoromethoxy)-2-(5-{2-[2-({6-[6-(trifluoromethoxy)-1H-1, 3-benzodiazol-2-yl]pyridin-3-yl}oxy)ethoxy]ethoxy}pyridin-2-yl)
Specifications & Purity
≥98%
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Properties ALogP 8.991 HBD Count 2 Rotatable Bond 14
Names and Identifiers Pubchem Sid 504770936 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504770936 Canonical Smiles C1=CC2=C(C=C1OC(F)(F)F)NC(=N2)C3=NC=C(C=C3)OCCOCCOC4=CN=C(C=C4)C5=NC6=C(N5)C=C(C=C6)OC(F)(F)F IUPAC Name 6-(trifluoromethoxy)-2-[5-[2-[2-[6-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyridin-3-yl]oxyethoxy]ethoxy]pyridin-2-yl]-1H-benzimidazole InChIKey WJBSSBFGPKTMQQ-UHFFFAOYSA-N INCHI 1S/C30H22F6N6O5/c31-29(32,33)46-17-1-5-21-25(13-17)41-27(39-21)23-7-3-19(15-37-23)44-11-9-43-10-12-45-20-4-8-24(38-16-20)28-40-22-6-2-18(14-26(22)42-28)47-30(34,35)36/h1-8,13-16H,9-12H2,(H,39,41)(H,40,42) Isomeric SMILES C1=CC2=C(C=C1OC(F)(F)F)NC(=N2)C3=NC=C(C=C3)OCCOCCOC4=CN=C(C=C4)C5=NC6=C(N5)C=C(C=C6)OC(F)(F)F PubChem CID 49806644 Molecular Weight 660.52
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 Benzimidazoles Subclass Not available Intermediate Tree Nodes Not available Direct Parent Benzimidazoles Alternative Parents Phenol ethers Alkyl aryl ethers Pyridines and derivatives Imidazoles Heteroaromatic compounds Trihalomethanes Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides Molecular Framework Aromatic heteropolycyclic compounds Substituents Benzimidazole - Phenol ether - Alkyl aryl ether - Benzenoid - Pyridine - Azole - Imidazole - Heteroaromatic compound - Trihalomethane - Dialkyl ether - Ether - Azacycle - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Alkyl fluoride - Organic nitrogen compound - Halomethane - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Alkyl halide - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds). 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 ≥ 16.53mg/mL in DMSO DMSO(mg / mL) Max Solubility 100 DMSO(mM) Max Solubility 151.3958699 Molecular Weight 660.500 g/mol XLogP3 6.200 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 15 Rotatable Bond Count 12 Exact Mass 660.156 Da Monoisotopic Mass 660.156 Da Topological Polar Surface Area 129.000 Ų Heavy Atom Count 47 Formal Charge 0 Complexity 913.000 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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