GRADE & PURITYMoligand™?Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
External Descriptors
Not available
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.
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Application Protocols
No item-specific protocols are provided. The following general procedure supports small-molecule screening in plates:
Stock preparation: Weigh compound quickly in a dry environment. Dissolve in anhydrous DMSO to 10–50 mM. Vortex and, if needed, sonicate briefly. Filter 0.22 µm when feasible.
Aliquoting: Dispense single-use aliquots (e.g., 10–50 µL) in amber tubes/plates to avoid repeated freeze–thaw and light exposure.
Serial dilution: Prepare a 10-point 1:3 dilution series in DMSO or assay buffer containing a matched DMSO concentration.
Assay addition: Keep final DMSO constant across wells (typically 0.1–1% v/v depending on assay tolerance).
Controls: Include vehicle control, positive control (if known), and counter-screens to detect interference (detergent test for aggregators, redox probes, fluorescence artifacts).
Data quality: Monitor Z′-factor, check for precipitation, and confirm compound identity/purity if results are unexpected.
For any specialized application (SPR, ITC, DSF, cell imaging), adapt solvent and buffer conditions to instrument and biology-specific requirements.
Biological Roles
No item-specific biological targets or mechanisms are provided in the current record. The following guidance is general for small-molecule ligands used in research.
Potential roles (general):
Tool compound for probing biochemical pathways in cell-free or cell-based assays after independent confirmation of identity and reported activity (e.g., via PubChem CID 16078994 literature if applicable).
Chemical probe candidate for structure–activity relationship (SAR) expansion if a tractable scaffold is confirmed.
Considerations:
Verify target, potency, and selectivity using orthogonal assays (e.g., enzymology plus thermal shift or SPR) before assigning pathway roles.
Evaluate off-target liabilities with panel profiling when feasible.
Assess cell permeability, stability (microsomal/serum), and efflux if used in cellular systems.
Research use only: No clinical, diagnostic, or therapeutic claims are made or implied for this product.
Buffer Applications
This product is not a buffering reagent. It is not typically used to prepare or maintain pH in biochemical or biological systems.
If preparing assay buffers for use with this ligand, choose a buffer system compatible with your biological target (e.g., HEPES, Tris, or phosphate) and confirm compound solubility and stability in that buffer.
Refer to Solvent Selection for guidance on dissolving the compound prior to buffer dilution.
Green Alternatives
This product functions as a research ligand rather than a process solvent or bulk reagent. “Green alternatives” considerations therefore focus on solvent and workflow choices during dissolution and screening.
Attempt aqueous dissolution first if the compound’s ionization state allows; adjust pH within assay-compatible limits.
If DMSO is required, minimize final DMSO concentration in assays (≤0.1–0.5% v/v for cells; ≤1% v/v for enzymes) and standardize across wells.
Use micro-aliquots to reduce freeze–thaw cycles and waste.
Employ miniaturized assay volumes (e.g., 384/1536-well) to reduce solvent usage.
Small comparison (general)
Water/buffer: Greenest, nonflammable; limited by solubility/chemical stability.
Ethanol: Renewable origin possible; miscible with water; lower solvency than DMSO.
DMSO: Excellent solvency; relatively benign but can enhance dermal absorption—use PPE.
DMF: Strong solvency; reproductive toxin—avoid when possible.
Note: No item-specific environmental hazard data are available; consult SDS if life-cycle or disposal impacts are a concern.
Pharmaceutical Uses
This item is supplied strictly for research use and is not intended for pharmaceutical formulation or clinical use.
General formulation-context notes (non-clinical)
If used as an internal standard or analytical control in development laboratories, confirm identity/purity via CoA and establish acceptance criteria via SOPs.
For pre-formulation research, typical excipients for solubilizing small molecules include cyclodextrins, co-solvents (PEG 400, ethanol), and surfactants; applicability depends on the compound’s properties, which are not provided here.
No pharmacopeial status, dosage form roles, or excipient uses are specified for this item.
Physical Properties
Item-specific physicochemical data are not included in the current record. Do not treat the following as specifications; use them only as planning guidance and confirm with the CoA/SDS.
Appearance: Not specified for this item; refer to CoA/Spec Sheet.
Melting point (literature/computed): Not specified for this item; refer to CoA/Spec Sheet.
Boiling point (literature): Not applicable/unknown for this item; consult CoA if neat liquid.
Density (literature): Not specified for this item; refer to CoA/Spec Sheet.
Solubility: Not specified for this item; refer to CoA/Spec Sheet. For library screening compounds, initial dissolution in anhydrous DMSO (10–50 mM) is commonly used if water insoluble.
logP/logD, pKa (literature/computed): Not specified for this item; refer to CoA/Spec Sheet.
Refractive index/UV cutoff: Not specified for this item; refer to CoA/Spec Sheet.
Practical notes (general)
If provided as a solid, allow to equilibrate to room temperature in a desiccated environment before opening to minimize moisture uptake.
Perform a small-scale solubility screen (e.g., DMSO, DMF, ethanol, aqueous buffer ± surfactant) prior to plate preparation. Filter sterilize solutions for cell-based assays when compatible.
Quality & Grades
Grade/Purity: Moligand™
What Moligand™ typically signifies (general information)
Moligand™ denotes inclusion in a curated small-molecule/ligand library intended for discovery research (e.g., target engagement, phenotypic screens, biochemical assays). Lots are typically qualified by identity (e.g., NMR/HRMS/LC) and purity suitable for screening. Exact acceptance criteria, analytical methods, and purity thresholds are item-specific.
Item-specific notes
Purity, stabilizers, residual solvents, metals, water: Not specified for this item; refer to CoA/Spec Sheet.
Intended use: Research use only; not for human or veterinary applications.
Practical guidance
For screening campaigns, record lot numbers and retain CoA to ensure reproducibility across batches.
If UV-based assays are planned, verify UV absorbance profile and impurities by LC-UV per the CoA to avoid assay interference.
If the compound is chiral and stereochemistry matters, confirm enantiomeric/diastereomeric ratio on the CoA before SAR interpretation.
Reaction & Applications
Scope for this item centers on its use as a small-molecule ligand in research rather than as a synthetic reagent.
Primary applications (research):
Inclusion in screening libraries for biochemical target engagement, binding, or activity modulation studies.
Chemical biology probes in hypothesis-generating experiments (pending confirmation of structure and activity from CoA/literature).
Positive/negative control development after independent verification of target and potency from the literature associated with the listed CID, if applicable.
Assay implementation tips (general):
Prepare concentrated DMSO stocks (10–50 mM), store as single-use aliquots to avoid freeze–thaw.
Conduct serial dilutions to map full dose–response (e.g., 10-point, 1:3 series) with matched DMSO controls.
Assess compound stability in assay media over the experiment timescale (e.g., LC-MS at 0, 1, 4, 24 h).
Counter-screening: Incorporate orthogonal assays to exclude assay artifacts (e.g., test in label-free biophysical readouts like SPR/DSF/ITC when feasible).
Note: No specific reaction chemistry (e.g., cross-couplings, Grignards) is typically relevant for a finished screening ligand unless you intend to derivatize it; see Synthetic Utility if applicable.
Reaction Conditions
Specific reaction conditions are not applicable because this product is intended as a research ligand, not a reagent. If you plan to use it as a substrate or to derivatize it:
Select conditions only after confirming the exact functional groups from the CoA/PubChem entry.
Perform small-scale compatibility tests to ensure the core scaffold is stable to planned transformations (acid/base, redox, metal-catalyzed steps).
For bioconjugation, standard conditions include NHS-ester coupling (amines, pH 7.5–8.5) or click chemistry (CuAAC/SPAAC) if appropriate handles exist—unknown for this item.
Safety & Handling
Authoritative safety information must be taken from the item’s SDS. The following are general best practices for handling small-molecule screening ligands.
GHS classification, signal word, pictograms, H-statements: Not specified for this item; refer to SDS.
Primary hazards (general): Unknown; handle as a laboratory chemical of unknown toxicity. Avoid inhalation, ingestion, skin/eye contact.
PPE: Lab coat, safety glasses, and appropriate chemical-resistant gloves (e.g., nitrile). Use a fume hood for weighing/dissolution if dusts/vapors may form.
Incompatibilities: Unknown for this specific item; as a precaution avoid strong oxidizers/reducers and extreme pH unless verified compatible.
First aid (overview):
Skin/eye: Rinse with water for at least 15 minutes; remove contaminated clothing; seek medical advice.
Inhalation: Move to fresh air; seek medical attention if symptoms occur.
Ingestion: Rinse mouth; do not induce vomiting; seek medical attention.
Spill response: Avoid dust formation; absorb solutions with inert material; collect in chemical waste.
Waste disposal: Dispose according to institutional and local regulations; avoid drain disposal.
Note: Some library compounds may be light- or moisture-sensitive; minimize exposure during handling even if not explicitly stated.
Solvent Selection
Because structure-specific solubility data are not provided, begin with broadly compatible solvent systems used for discovery libraries.
Primary stock solvent (general best practice): Anhydrous DMSO at 10–50 mM.
Secondary solvents for co-solubilization: DMF or ethanol can be used to pre-dissolve before dilution into aqueous buffers; keep final organic content ≤1% v/v in biochemical assays and ≤0.1–0.5% v/v in cell assays when possible.
Aqueous compatibility: Unknown for this specific item. If aqueous stocks are desired, evaluate solubility in PBS, HBSS, or assay buffer with gentle heating (≤40 °C) and/or surfactants (e.g., 0.01–0.05% Tween-20) if assay-compatible.
pH effects: If the ligand bears ionizable groups (unknown here), solubility may improve at pH values where the compound is charged. Conduct a small pH–solubility screen (pH 3, 7.4, 9) on milligram scale.
Quick comparison (general)
DMSO: Highest solvating power for diverse chemotypes; may affect some enzymes/cells at >0.5% v/v.
Ethanol: Lower solvency; more benign to some targets but can perturb membranes.
DMF: Strong solvent; use sparingly; consider toxicity and assay compatibility.
Always filter 0.22 µm when feasible and confirm absence of precipitation after dilution into the assay medium.
Shipped in: Not specified for this item; refer to CoA/Spec Sheet.
Appearance: Not specified for this item; refer to CoA/Spec Sheet.
General best practices
Keep container tightly closed in a dry, well-ventilated place. Protect from excessive light and moisture unless data indicate insensitivity.
For long-term reliability in screening, prepare DMSO stock solutions (e.g., 10–50 mM) as single-use aliquots. Store aliquots at −20 °C to −80 °C, protected from light. This solution guidance is general and does not override the item’s solid-state storage condition above.
Avoid repeated freeze–thaw of solutions; thaw on ice, use immediately, and discard leftovers.
Inspect for signs of degradation (color change, precipitation, LC-MS purity drift) before critical experiments.
Reconstitution
Solvent choice and target concentration depend on solubility; start with anhydrous DMSO. If aqueous stocks are needed, slowly add buffer to a DMSO concentrate with vigorous mixing to prevent precipitation. Verify clarity and assay compatibility.
Structure & Identity
Brief overview: OMPT (SKU O612504) is listed in our Moligand small-molecule and compound library. Item-specific structural identifiers are minimal in the current record; consult the CoA/Spec Sheet for definitive structure and specifications.
Product name: OMPT
SKU: O612504
CAS: O612504 (catalog placeholder; not a registry number)
PubChem CID: 16078994 (provided)
InChIKey: 79413 (as provided; truncated/atypical — verify on CoA)
SMILES: Not specified for this item; refer to CoA/Spec Sheet.
Molecular formula: Not specified for this item; refer to CoA/Spec Sheet.
Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.
Structural features
Item-specific ring systems, functional groups, stereochemistry, and ionization state: Not specified for this item; refer to CoA/Spec Sheet.
2D structure description (general guidance)
Without a SMILES/InChI, a definitive 2D depiction cannot be provided. If this entry corresponds to a known bioactive ligand in the literature, cross-check the PubChem CID above for the authoritative structure and stereochemical assignment before use in computational or screening campaigns.
Synthetic Utility
This listing is for a finished small-molecule ligand rather than a synthetic building block; no functional-group-level reactivity is specified in the Product Data.
If derivatization or SAR expansion is planned, obtain the full structure from the CoA/PubChem CID and identify modifiable positions (e.g., bioisosteric swaps, handle introduction for biotinylation/photocrosslinking).
For PROTAC/heterobifunctional design, determine whether the scaffold can tolerate installation of a linker (amine, hydroxyl, carboxyl, halide) without abolishing activity—information not available in this record.
Ensure any synthetic work uses independent analytical confirmation (NMR, HRMS, HPLC) to maintain continuity with the screening parent compound.
Target Specificity
No target specificity information is provided for this item in the Product Data.
Antigen/target name, epitope, species reactivity, clone/isotype: Not applicable; this is not an antibody.
For putative small-molecule targets associated with PubChem CID 16078994, consult the primary literature and confirm activity in your system before assigning specificity.
Need help choosing the grade?
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
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