≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Information
BMS-986188 is a positive allosteric modulator (PAM) of δ-opioid receptors with EC50 of 0.05 μM in a β-arrestin recruitment assay.
| Canonical Smiles | CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC=C(C=C4)OCC5=CC=CC=C5Br)C(=O)C1)C |
|---|---|
| IUPAC Name | 9-[4-[(2-bromophenyl)methoxy]phenyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione |
| InChIKey | BBCHHZHONQIODT-UHFFFAOYSA-N |
| INCHI | 1S/C30H31BrO4/c1-29(2)13-22(32)27-24(15-29)35-25-16-30(3,4)14-23(33)28(25)26(27)18-9-11-20(12-10-18)34-17-19-7-5-6-8-21(19)31/h5-12,26H,13-17H2,1-4H3 |
| Isomeric SMILES | CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC=C(C=C4)OCC5=CC=CC=C5Br)C(=O)C1)C |
| Molecular Weight | 535.47 |
| Reaxy-Rn | 28330517 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28330517&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Phenol ethers |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenol ethers |
| Alternative Parents | Phenoxy compounds Cyclohexenones Bromobenzenes Alkyl aryl ethers Pyrans Aryl bromides Vinylogous esters Oxacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenoxy compound - Phenol ether - Alkyl aryl ether - Cyclohexenone - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyran - Vinylogous ester - Ketone - Oxacycle - Organoheterocyclic compound - Ether - Organic oxide - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring. |
| External Descriptors | Not available |
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 L2313088 | Certificate of Analysis | Nov 27, 2023 | B412970 |
| L2313089 | Certificate of Analysis | Nov 27, 2023 | B412970 |
| L2313090 | Certificate of Analysis | Nov 27, 2023 | B412970 |
| L2313091 | Certificate of Analysis | Nov 27, 2023 | B412970 |
| L2313092 | Certificate of Analysis | Nov 27, 2023 | B412970 |
| L2313093 | Certificate of Analysis | Nov 27, 2023 | B412970 |
| L2313094 | Certificate of Analysis | Nov 27, 2023 | B412970 |
| L2313095 | Certificate of Analysis | Nov 27, 2023 | B412970 |
| L2313096 | Certificate of Analysis | Nov 27, 2023 | B412970 |
| L2313097 | Certificate of Analysis | Nov 27, 2023 | B412970 |
| L2313098 | Certificate of Analysis | Nov 27, 2023 | B412970 |
| L2313099 | Certificate of Analysis | Nov 27, 2023 | B412970 |
| Solubility | DMF: 1mg/mL,DMF:PBS (pH 7.2) (1:2): 0.3mg/mL,DMSO: slightly soluble,Ethanol: slightly soluble |
|---|---|
| Molecular Weight | 535.500 g/mol |
| XLogP3 | 6.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 534.141 Da |
| Monoisotopic Mass | 534.141 Da |
| Topological Polar Surface Area | 52.600 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 882.000 |
| 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 |
