GRADE & PURITYMoligand™?Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
Synonyms
methyl 4-[[4-[[(2-propan-2-yl-1H-benzimidazole-4-carbonyl)amino]methyl]piperidin-1-yl]methyl]piperidine-1-carboxylate | methyl 4-[[4-[[(2-propan-2-yl1H-benzimidazole-4-carbonyl)amino]methyl]piperidin-1-yl]methyl]piperidine-1-carboxylate | WHO 11124 | 35F0
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
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 tested applications or protocols are provided in the Product Data for SKU T614358.
Item-specific facts (from Product Data)
Manufacturer Applications: Not specified.
General considerations (for planning only; develop and validate in-house)
Receptor functional assay (cAMP): Prepare a DMSO stock, dilute into assay buffer, apply to cells expressing the receptor, and quantify cAMP with HTRF/ELISA kits. Optimize concentration range (e.g., 8–10 point curves) and vehicle control.
Binding assay: Use radioligand or fluorescent tracer displacement; ensure equilibrium and non-specific binding controls.
Stability check: Confirm no significant degradation or adsorption to plastics under assay conditions.
Important
The above are general literature-style outlines, not validated protocols for this product. Follow your institutional SOPs and validate all conditions.
Biological Roles
The following summarizes literature-reported biology for TD-8954 as a tool compound. Use strictly for research; no clinical/therapeutic claims are made.
Literature/general (verify against primary references)
Molecular pharmacology: TD-8954 is described as a potent, selective agonist of the 5-HT4 receptor (a Class A GPCR), typically coupling to Gs and elevating intracellular cAMP.
Systems context: 5-HT4 receptors are expressed in enteric neurons and other tissues; activation modulates acetylcholine release and gut motility pathways, and can influence secretion and neuronal excitability in model systems.
Signaling readouts: cAMP accumulation, PKA activation, CREB phosphorylation; potential engagement of receptor desensitization/internalization pathways depending on exposure.
Selectivity considerations: Literature notes high selectivity versus other 5-HT receptor subtypes for TD-8954; confirm with current SAR panels for your system.
Practical research uses
Benchmark agonist in receptor validation studies.
Reference ligand in biased signaling analyses and kinetic binding experiments.
Tool for dissecting pre- vs post-synaptic contributions of 5-HT4 in neuronal models.
Item-specific facts (from Product Data)
No biological activity parameters (Ki/EC50, selectivity data) are provided here; consult the CoA or literature.
Buffer Applications
This product is a small-molecule ligand and is not a buffering agent. Therefore, classical buffer system recipes and pH ranges are not directly applicable.
Item-specific facts (from Product Data)
None provided regarding buffer behavior.
Practical notes (general)
For biochemical assays, TD-8954 working solutions are typically prepared by diluting DMSO stocks into physiological buffers (e.g., HEPES or PBS-based) immediately prior to use.
Maintain low final DMSO percentages (≤0.1–0.5% v/v) to limit vehicle effects on receptor function.
If precipitation occurs upon dilution, increase the dilution steps, add minimal surfactant compatible with the assay, or adjust ionic strength and pH within biologically acceptable ranges.
Green Alternatives
Green chemistry primarily pertains here to solvent choices and waste minimization during screening and analytics, since TD-8954 is used as a tool ligand rather than as a reaction solvent or bulk reagent.
Solvent strategy (general)
Prefer aqueous buffers with minimal DMSO where compatible with solubility and assay sensitivity.
If organic solvents are required, choose lower-toxicity options (ethanol, isopropanol) for cleaning and sample prep when feasible.
Comparison of common solvents (general guidance)
| Use case | Typical option | Greener alternative | Tradeoffs |
|---|---|---|---|
| Stock solutions | DMSO | Aqueous buffer with cyclodextrin or mild surfactant | May affect assay readouts; solubility limited |
| Analytical dilutions | ACN | EtOH/IPA or water-rich mobile phases | Potential changes in chromatographic selectivity |
| Sample cleanup | Dichloromethane | Ethyl acetate or Me-THF | Different partition behavior; may impact recovery |
Operational choices
Scale small: Prepare minimal volumes of concentrated stocks to reduce waste.
Use microplate formats and sealed storage to extend stock lifetime and lower evaporation losses.
Segregate halogenated vs non-halogenated waste streams to enable safer disposal.
Item-specific limitations
No green specifications (e.g., solvent-free formulation) are provided for this SKU; implement lab-level green practices as appropriate.
Pharmaceutical Uses
No excipient or pharmacopeial status is provided for this item; it is supplied strictly for research use.
Item-specific facts (from Product Data)
Research Use Note: For research use only
Research and development context (general)
Reference standard: Can serve as an internal reference in discovery assays (binding, functional) and analytical methods (LC–MS retention/mass match) during early research.
Tool compound: Useful in mechanism-of-action studies for 5-HT4 receptor signaling and target validation projects.
Formulation screening (non-clinical): Exploratory solubility and stability assessments in non-GMP settings to support assay design.
Not claimed
No GMP manufacturing role, no clinical formulation role, and no pharmacopeial monograph are claimed for this SKU.
Physical Properties
Authoritative item-specific physical constants are not provided in the Product Data for SKU T614358. Consult the Certificate of Analysis and SDS if you require exact values for QC or method development.
Item-specific facts (from Product Data)
Appearance: Not specified for this item; refer to CoA/Spec Sheet.
Molecular Weight: Not specified for this item; refer to CoA/Spec Sheet.
Molecular Formula: Not specified for this item; refer to CoA/Spec Sheet.
State: TD-class 5-HT4 agonists are commonly isolated as crystalline solids or as solid hydrochloride salts; solubility is typically enhanced in polar aprotic solvents.
Solubility: Many screening ligands dissolve readily in DMSO at 10–50 mM stock concentrations (literature/practice). Aqueous solubility may depend strongly on salt form and pH.
pKa/logP: 5-HT4 agonists usually contain a basic tertiary amine (pKa ~8–10, literature) and display moderate lipophilicity (clogP ~2–4, literature); exact values for TD-8954 must be confirmed.
Melting point, boiling point, density, refractive index: Not specified here; consult primary sources.
Practical notes
Prepare analytical stocks in dry, anhydrous DMSO; further dilute into assay buffers immediately prior to use to minimize precipitation.
If working with a salt form, note the counterion for mass calculations and pH behavior.
Quality & Grades
This item is supplied as Moligand™, our screening-ligand grade intended for discovery, SAR, and target engagement studies in research settings.
What Moligand™ typically implies (general description)
Suitability: Optimized for biochemical/cellular screening, binding assays, and phenotypic profiling where consistent chemical identity and batch-to-batch reproducibility are critical.
Documentation: CoA typically provides identity confirmation (e.g., HPLC/LC–MS purity, NMR identity) and lot-specific details. If you require specific cutoffs (e.g., HPLC area %, residual solvents, water content), request the lot CoA.
UV profile: Not specified for this item; refer to CoA/Spec Sheet.
Stabilizers: None specified for this item; refer to CoA/Spec Sheet.
Practical guidance for QC and use
Verify identity upon receipt if your workflow is sensitivity-critical (LC–MS retention time/mass match, 1H NMR fingerprint).
For screening libraries, prepare DMSO stocks under low-moisture conditions and record exact mass and concentration by weight and/or quantitative NMR as needed.
Compliance & scope
Not intended for diagnostic, clinical, or GMP manufacturing use.
No pharmacopeial grade or monograph is claimed for this product.
Reaction & Applications
This product is positioned as a functional screening ligand rather than a synthetic reagent. As such, synthetic reaction applications are not the primary use case.
Item-specific facts (from Product Data)
Manufacturer Applications: Not specified beyond inclusion in a small-molecule/compound library.
Research applications (literature/general)
Target engagement: Used as a tool compound to probe 5-HT4 receptor pharmacology in biochemical binding assays and functional (cAMP) readouts.
Pathway interrogation: Facilitates studies on enteric neurotransmission, cholinergic modulation, and GPCR signaling bias via 5-HT4 activation.
Assay development: Serves as a positive control or reference agonist in receptor screening panels; supports potency/efficacy benchmarking.
Practical notes
Prepare fresh working solutions before each assay to minimize adsorption and degradation.
Record the exact salt form for accurate molar dosing.
Validate receptor expression levels and coupling to downstream reporters (e.g., cAMP HTRF/ELISA, Ca2+ flux where applicable) prior to full campaigns.
Reaction Conditions
Not typically applicable: TD-8954 is used as a biological tool compound rather than a synthetic reagent. Therefore, canonical reaction condition guidance (catalysts, temperatures, yields) is generally irrelevant.
Applicable experimental conditions (general for assays)
Solution prep: 10–50 mM DMSO stocks; dilute into assay buffer to nM–µM final concentrations.
Stability handling: Protect from prolonged light and moisture; minimize freeze–thaw cycles by aliquoting.
Assay windows: Equilibration times and exposure durations depend on receptor expression and assay format (e.g., 10–60 min for cAMP accumulation in 96/384-well plate assays).
Note
Any synthetic modification or coupling steps involving TD-8954 for probe development should be developed de novo using standard organic chemistry methods once the exact functional groups of the supplied lot are verified.
Safety & Handling
Safety data specific to TD-8954 (T614358) are not listed in the Product Data. Always refer to the SDS for authoritative hazard classifications and first-aid instructions.
Item-specific facts (from Product Data)
GHS Classification: Not specified for this item; refer to SDS.
Signal Word: Not specified for this item; refer to SDS.
H-Statements/Pictograms: Not specified for this item; refer to SDS.
Storage Conditions: Room temperature.
General laboratory precautions (good practice for small-molecule ligands)
PPE: Laboratory coat, safety glasses, and appropriate chemically resistant gloves.
Engineering controls: Handle powders in a fume hood or ventilated enclosure to avoid inhalation of dust/aerosols.
Hygiene: Avoid ingestion and skin/eye contact; wash thoroughly after handling.
Incompatibilities: Strong oxidizers and strong acids/bases may degrade typical aromatic amide/amine ligands; store away from reactive agents.
First-aid overview (general; defer to SDS)
Inhalation: Move to fresh air; seek medical attention if symptoms persist.
Skin/eye contact: Rinse with water for several minutes; remove contaminated clothing; seek medical advice if irritation continues.
Ingestion: Rinse mouth; do not induce vomiting; seek medical attention.
Spill/Disposal (general)
Contain solids with inert absorbent; avoid dust generation; dispose according to institutional and local regulations.
Note: No peroxide or explosive hazard is typically associated with benzamide-type ligands; nonetheless, evaluate stability from CoA/SDS.
Solvent Selection
Because TD-8954 is offered as a research ligand in a compound library context, DMSO stock solutions are the typical starting point for assay deployment. Definitive solubility specifications for this SKU are not provided; confirm experimentally.
Item-specific facts (from Product Data)
Appearance/solubility: Not specified for this item; refer to CoA/Spec Sheet.
General guidance for small-molecule ligands (literature/practice)
Primary solvent: DMSO (anhydrous) for 10–50 mM stocks; warm gently (≤40 °C) and vortex/sonicate if needed.
Secondary solvents: DMF or acetonitrile for method development; methanol/ethanol for analytical dissolutions; aqueous buffers after cosolvent pre-dissolution.
Aqueous compatibility: Improve by using salt forms or adding 0.1–1% DMSO as a cosolvent; filter through 0.2 µm if precipitation is a concern.
Selection tips
For biochemical assays: DMSO stock, dilute into buffer (final DMSO ≤0.1–0.5% v/v as assay permits).
For cell assays: Keep final DMSO ≤0.1–0.2% v/v when possible; pre-test for vehicle effects.
For LC–MS: ACN/H2O with 0.1% formic acid is commonly effective; verify ionization response and avoid adducting counterions if using salt forms.
Quick comparison (general)
DMSO: highest solvency, hygroscopic, high bp.
DMF: strong solvency, more regulated; handle with care.
MeOH/EtOH: convenient but lower capacity for highly lipophilic scaffolds.
Storage & Reconstitution
Guidance on storing and preparing this research ligand for use.
Item-specific facts (from Product Data)
Storage Conditions: Room temperature
Shipped In: Not specified for this item; refer to CoA/Spec Sheet.
Appearance: Not specified for this item; refer to CoA/Spec Sheet.
General reconstitution recommendations (practice; verify with your assay)
Stock preparation: Dissolve in anhydrous DMSO to 10–50 mM; record exact mass and final volume for concentration traceability.
Aliquoting: Dispense into small, single-use vials or plate wells to avoid repeated freeze–thaw; cap tightly to limit moisture uptake.
Working solutions: Dilute into pre-warmed assay buffer immediately before use; maintain low final DMSO (≤0.1–0.5% v/v) unless your assay tolerates more.
Filtration: If particulate is observed, pass through 0.2 µm PTFE or low-protein-binding filters.
Stability and handling (general)
Protect from humidity and extended light exposure.
For long-term storage of solutions, consider −20 °C in sealed vials under inert headspace; verify stability by LC–MS/HPLC as needed.
Disposal
Dispose of unused solutions and contaminated consumables according to local regulations for organic, non-halogenated/halogenated waste as applicable.
Structure & Identity
Brief overview: TD-8954 is a cataloged small molecule listed in our small-molecule/compound libraries category. Structural identifiers are not supplied in the product data; consult the CoA/SDS for definitive structural information.
Item-specific facts (from Product Data)
Product Name: TD-8954 (SKU: T614358)
Category: Small molecules and compound libraries (小分子和化合物库)
Grade/Purity: Moligand™
CAS: 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.
InChIKey: Not specified for this item; refer to CoA/Spec Sheet.
SMILES: Not specified for this item; refer to CoA/Spec Sheet.
Literature/general notes (for orientation; verify against primary sources)
TD-8954 is widely described in the literature as a potent, selective 5-HT4 receptor agonist used as a pharmacological tool compound.
Typical structural features reported for 5-HT4 agonists include an amide/benzamide core with dialkylamino side chains; exact stereochemistry and substitution pattern must be verified from primary references.
2D structural description (general, literature): Often depicted as an aromatic amide scaffold bearing electron-donating substituents and a basic tertiary amine side chain that engages the 5-HT4 binding pocket. Exact atom connectivity for TD-8954 should be confirmed from PubChem CID 11961293 or the product CoA.
Synthetic Utility
TD-8954 is primarily a finished tool ligand rather than a modular building block, and it is not generally used as a reagent or synthon in routine organic synthesis.
Item-specific facts (from Product Data)
None regarding use in synthesis.
General commentary (literature/practice)
Structural class: Many 5-HT4 agonists feature substituted benzamides bearing basic aminoalkyl side chains; such scaffolds are endpoints of multi-step syntheses involving amide coupling and amine installation rather than intermediates for further derivatization.
Derivatization potential: If functional handles are present (e.g., amide NH, aryl halide, tertiary amine), they can enable prodrug, photoaffinity, or fluorophore conjugation strategies; applicability to TD-8954 must be verified from its exact structure.
Analytical utility: As a standard for LC–MS method development targeting 5-HT4 ligand classes.
Recommendation
If you require a derivatizable analog (click handle, photo-crosslinker, biotin), inquire about custom synthesis or alternative skews with defined functional handles.
Target Specificity
Only product-data-derived specificity should be listed here, and none is provided.
Item-specific facts (from Product Data)
Target, selectivity profile, EC50/Ki: Not specified for this item; refer to CoA/Spec Sheet.
Note
While literature describes TD-8954 as a 5-HT4 receptor agonist, no target specificity data are provided within this product listing. Users should consult primary literature and perform in-house validation for their system.
Frequently Asked Questions
How should this product be stored?
Store at room temperature.
What is Moligand??
Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is T614358. InChIKey MZOITCJKGUIQEI-UHFFFAOYSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.
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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Products are supplied to verified businesses, institutions, and qualified professionals for research and development use only. Not for use in humans, animals, diagnosis, or therapy.
