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 phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.
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.
Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
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Application Protocols
No item-specific validated application protocols are provided for AZ4800. The following general procedures support use of small-molecule screening compounds.
Typical stock preparation (general):
Allow vial to equilibrate to room temperature in a desiccator before opening. Accurately weigh the solid. Dissolve in anhydrous DMSO to 10–20 mM. Vortex and, if needed, briefly sonicate. Optional: sterile-filter through 0.22 µm PTFE for cell-based assays.
Serial dilution for assays (general):
Prepare intermediate DMSO dilutions to minimize precipitation upon aqueous dilution. Target final assay DMSO 0.1–1% v/v. Include vehicle-matched controls. For fluorescence-based assays, check compound autofluorescence.
Stability checks (general):
Assess short-term stability in DMSO at room temperature and in assay buffer at working concentrations over typical assay times (e.g., 1–24 h) by UPLC.
Data quality controls:
Include detergent controls (0.01–0.05% Tween-20) to reduce colloidal aggregation artifacts. Use orthogonal readouts to exclude redox cycling or PAINS-type interference if structural alerts are present after structure confirmation.
Biological Roles
Item-specific biological target or mechanism is not provided for AZ4800.
General context for small-molecule library members:
Such compounds are used as putative ligands to interrogate protein function, modulate enzymatic activity, or perturb cellular pathways in vitro. The actual biological role of AZ4800 depends entirely on its structure and experimental validation (binding, potency, selectivity, and pathway modulation).
Typical modalities include reversible noncovalent binding to enzymes or receptors, covalent targeting if electrophilic motifs are present (e.g., acrylamides for cysteine), or allosteric modulation within multi-domain proteins.
Early profiling often measures physicochemical properties (Lipinski descriptors), permeability (PAMPA/MDCK), metabolic stability (microsomes/S9), and off-target liability panels to contextualize any observed phenotypes.
Orthogonal biophysical assays (SPR/MST/ITC/DSF) help establish direct target engagement and thermodynamics. Cellular assays (e.g., CETSA, NanoBRET target engagement) can extend these findings in situ.
Caution:
Do not infer biological roles or targets for AZ4800 without primary data. All use is for research only; no clinical, diagnostic, or therapeutic claims are made or implied.
Buffer Applications
Not typically applicable. AZ4800 is a small-molecule library compound and is not itself a buffering agent.
Practical note for assay buffers (general):
Prepare concentrated AZ4800 stocks in DMSO and dilute into pre-equilibrated assay buffers (e.g., HEPES, Tris, PBS) to achieve the desired final concentration with controlled vehicle percentage (commonly 0.1–1% v/v DMSO).
To minimize precipitation upon dilution, dispense compound into buffer containing protein or surfactant (e.g., 0.01–0.05% Tween-20) when assay-compatible, and mix immediately.
Maintain buffer pH and ionic strength appropriate to the biological system under study; do not rely on the compound to provide buffering capacity.
Green Alternatives
As AZ4800 is a discrete small-molecule library member rather than a process solvent or bulk reagent, “green alternative” considerations focus on formulation and handling rather than replacing the compound itself.
Greener formulation strategies (general):
Prefer aqueous assay media with minimal organic cosolvent. Validate performance at the lowest feasible DMSO content (e.g., 0.1–0.5% v/v), and consider ethanol or glycerol co-solvent where biologically compatible.
Use micro-volume, sealed plates to reduce solvent consumption and VOC emissions.
For cleaning and sample prep, replace chlorinated solvents with ethyl acetate, isopropanol, or CPME where effective.
Comparison of common vehicles (general):
DMSO: High solvency; widely accepted; not volatile but persistent—minimize volumes and implement segregated waste.
Ethanol: Renewable feedstock; higher volatility; limited solvency for very lipophilic scaffolds.
2-Hydroxypropyl-β-cyclodextrin (HP-β-CD) solutions: May enhance apparent solubility for hydrophobes; evaluate potential assay interference.
Operational green practices:
Right-size aliquots to limit freeze–thaw and waste.
Adopt room-temperature shipping for stable solids (as specified for AZ4800) to lower cold-chain footprint.
Note: Substitution of the compound itself is typically not applicable for screening collections; instead, optimize vehicles and workflows to reduce environmental impact.
Pharmaceutical Uses
Not applicable for this catalog item. AZ4800 is provided strictly for research use only (as stated in Product Data) and is not intended for human or veterinary use, clinical diagnosis, or as a pharmaceutical excipient.
General information for context (non-claim, non-specific):
In early discovery, small molecules like AZ4800 may serve as hit or lead candidates in screening campaigns. Any consideration of formulation roles (e.g., salt selection, solid-state form) would occur only after extensive preclinical evaluation, which is outside the scope of this product.
No pharmacopeial monograph, excipient status, or GMP-related designation is provided for AZ4800. It should not be used in manufacturing or clinical settings.
Physical Properties
Item-specific measured properties:
Appearance: Not specified for this item; refer to CoA/Spec Sheet.
Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.
Melting point (MP): Not specified for this item; refer to CoA/Spec Sheet.
Boiling point (BP): Not specified for this item; refer to CoA/Spec Sheet.
Density: Not specified for this item; refer to CoA/Spec Sheet.
Refractive index: Not applicable unless liquid; not specified for this item.
UV/Vis characteristics: Not specified for this item; refer to CoA/Spec Sheet.
Solubility: Not specified for this item; refer to CoA/Spec Sheet.
General guidance for small-molecule library members (literature/practice-based):
Stock solutions are commonly prepared at 10–50 mM in anhydrous DMSO due to broad solubilizing capacity; aqueous assay media typically tolerate 0.1–1% v/v DMSO.
If DMSO solubility is limited, alternatives include DMF, NMP, ethanol, or co-solvent systems (e.g., DMSO/water or ethanol/water with surfactants such as 0.01–0.05% Tween-20 where assay-compatible).
Many drug-like heteroaromatics exhibit moderate lipophilicity (cLogP ~1–4, literature ranges), but this is scaffold-dependent; confirm experimentally for AZ4800.
Solid library compounds often show MP >80 °C; however, actual MP for AZ4800 is unknown and must be verified on the CoA.
Notes:
Where properties are essential to method development (e.g., extinction coefficient for spectrophotometric quantitation), determine empirically after obtaining the authenticated structure and purity profile.
Quality and Grades
Item-specific grade:
Grade: Moligand™ (as provided in Product Data).
What Moligand™ implies (general description):
Moligand-grade products are curated for small-molecule discovery workflows, including biochemical and biophysical screening, hit validation, and SAR expansion. Typical expectations include defined identity (e.g., NMR/MS confirmation), research-grade purity suitable for screening, and controlled packaging to minimize degradation. Exact acceptance criteria (purity threshold, residual solvents, salt content) are batch-specific—always refer to the CoA/Spec Sheet for AZ4800.
Analytical quality considerations for screening compounds (general):
Identity verification: 1H NMR, LC–MS or HRMS; optional 13C NMR depending on scaffold complexity.
Purity: Frequently reported by LC at 210–254 nm; UV purity can underreport non-UV impurities—orthogonal methods may be advisable for critical studies.
Counter-ions/solvation: If the compound is provided as a salt or solvate, potency calculations should use the free-base/acid equivalent; confirm on CoA.
Solid form: Polymorph or amorphous form can affect dissolution rate; where relevant, DSC/TGA or PXRD data may be provided on request.
Stabilizers and additives:
No stabilizer information is provided for AZ4800. If stabilizers or antioxidants are present, they will be listed on the CoA/SDS. Absent such notation, assume neat material and handle under dry, clean conditions.
Reaction and Applications
Primary use case:
AZ4800 is supplied as a Moligand™ screening compound for research use. The principal application is as a chemical probe candidate in binding/functional assays (biochemical, biophysical, or cell-based), not as a synthetic reagent.
Cell-based assessment: reporter assays, phenotypic screening, CETSA target engagement, and chemoproteomics (if reactive handles are present after structure confirmation).
Analytical characterization: HPLC/UPLC stability studies in DMSO and assay buffers; assessment of photostability if the scaffold is UV-active or azo/heteroaromatic.
Practical tips (general):
Prepare concentrated DMSO stocks (e.g., 10–20 mM), filter through 0.22 µm PTFE when feasible, and perform serial dilutions immediately before use to minimize precipitation.
Control for vehicle effects with matched DMSO controls; confirm absence of assay interference (e.g., aggregation—use detergent controls; intrinsic fluorescence—use orthogonal readouts).
If the structure suggests liability (e.g., Michael acceptor, redox cyclers), incorporate orthogonal counterscreens (ALDH/thiol reactivity, redox assays) before mechanistic claims.
Note: Without the specific structure of AZ4800, do not assume reaction chemistries or mechanism of action; verify with the CoA and your internal profiling data.
Reaction Conditions
Not primarily applicable. AZ4800 is intended as a research screening compound rather than a reagent or catalyst.
If derivatization is undertaken after confirming the structure (general literature guidance):
Cross-coupling (Suzuki–Miyaura): Pd(0/II) catalysts (e.g., Pd(dppf)Cl2), bases (K3PO4, Cs2CO3), solvents (toluene/EtOH/H2O or dioxane/H2O), 60–100 °C, 1–12 h.
Buchwald–Hartwig amination: Pd2(dba)3 or Pd(OAc)2 with dialkylbiaryl phosphines, NaOtBu or Cs2CO3, toluene or dioxane, 80–110 °C.
Amide coupling: HATU/DIPEA or EDCI/HOBt alternatives, DMF/DCM, 0–25 °C to RT, 1–16 h.
Nucleophilic substitutions (SNAr): Polar aprotic solvents (DMF/DMSO), bases (K2CO3/NaH), 25–120 °C depending on substrate activation.
These are generic condition ranges reported widely in the literature and are not specific to AZ4800. Select conditions only after confirming compatibility with the actual functional groups and stability profile of the compound.
Safety and Handling
Item-specific safety data:
GHS classification: Not specified for this item; refer to SDS.
Signal word / Pictograms / H-statements: Not specified for this item; refer to SDS.
Storage conditions (Product Data): Room temperature (solid state unless otherwise noted).
General laboratory precautions (defer to SDS for authoritative guidance):
Personal protective equipment: lab coat, safety glasses, and appropriate chemically resistant gloves. Handle powders in a fume hood to minimize inhalation of dust/aerosols.
Avoid ingestion, inhalation, and skin/eye contact. Wash thoroughly after handling. Prevent environmental release.
Incompatibilities: Unknown for this specific item. As a general rule, segregate organic compounds from strong oxidizers, strong acids/bases, and reactive reducing agents unless compatibility is documented.
First aid (general): If inhaled, move to fresh air; if on skin, wash with soap and water; if in eyes, rinse cautiously with water for several minutes; if swallowed, rinse mouth. Seek medical attention following exposure.
Fire safety: Many organic solids are combustible. Use CO2, dry chemical, or foam as appropriate; cool containers with water spray.
Spill response: Avoid dust generation; collect with inert absorbent, transfer to suitable waste container, and ventilate area.
Note: Always consult the product-specific Safety Data Sheet for AZ4800 before use; this contains binding information on hazards, exposure limits, and disposal.
Solvent Selection
Item-specific solubility data are not provided. The following decision framework reflects best practices for small-molecule library compounds:
Primary stock solvent strategy (general):
DMSO (anhydrous) is the default for discovery stocks at 10–50 mM owing to broad solubilizing power and assay compatibility up to 0.1–1% v/v in aqueous systems.
If DMSO is inadequate, consider DMF or NMP for higher polarity/lipophilicity mismatches, noting stricter assay compatibility limits (often ≤0.5% v/v).
Protic co-solvents (ethanol, isopropanol) can assist dissolution for H-bonding scaffolds; maintain final assay alcohol ≤0.5% v/v unless validated.
Aqueous formulation hints (general):
For basic compounds, acidified aqueous buffers (e.g., 10–50 mM acetate or citrate, pH 3.5–5.5) can improve solubility of the free base; for acidic compounds, basic buffers (e.g., Tris or phosphate, pH 8–9) assist dissolution of the free acid. Confirm pKa from the authentic structure before applying.
Use co-solvent systems (e.g., 2–10% DMSO or 5–20% ethanol) and surfactants (0.01–0.05% Tween-20) where assay-compatible.
Small comparison (general guidance):
DMSO: highest solvency; hygroscopic, high BP; widely accepted in HTS.
DMF: strong solvency; more stringent handling for toxicity; good for stubborn solids.
Ethanol: greener, volatile; limited for highly lipophilic scaffolds.
Note: Establish AZ4800’s actual solubility and stability experimentally and confirm acceptable vehicle limits in your assay system.
Storage and Reconstitution
Item-specific storage:
Storage conditions (Product Data): Room temperature. Absent a specified temperature range, store tightly closed in a dry, ventilated place away from direct light. Consult the CoA for any batch-specific notes.
Shipped in: Not specified for this item; refer to CoA/Spec Sheet.
General handling and reconstitution guidance for library compounds:
Upon receipt, allow the container to reach ambient temperature before opening to avoid moisture condensation. Open under low-humidity conditions and promptly recap. If the material is hygroscopic or light-sensitive (unknown for this item), consider handling under inert gas and amber light until confirmed.
For working solutions, prepare concentrated DMSO stocks (e.g., 10–20 mM). Aliquot into small, inert vials or plate wells to minimize headspace and freeze–thaw. Store DMSO stocks at −20 °C to −30 °C, protected from light; thaw only once when possible.
Solid-state stability is often superior at room temperature for robust scaffolds; however, if long-term storage is anticipated, cool, dry, and dark conditions are recommended unless contraindicated by the CoA.
Expiration and retest:
No shelf-life is specified for this item. For critical work, implement periodic retest by LC–MS/HPLC to verify identity and purity.
Structure and Identity
Overview: AZ4800 is supplied as a Moligand-grade small-molecule library member intended for discovery and screening workflows. Item-specific structural identifiers are not provided in the Product Data.
Item-specific facts (from Product Data):
Product Name: AZ4800 (SKU: A607843)
Category: Small molecules and compound libraries (小分子和化合物库)
Grade: Moligand™
CAS: A607843 (catalog placeholder)
PubChem CID: 50996844 (identifier provided; structure not included here)
InChIKey: 320376 (as provided; full-length InChIKey not specified)
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.
Interpretive notes (general):
Without a provided structure, ring systems, functional groups, and stereochemistry cannot be detailed for this specific item. Please consult the Certificate of Analysis (CoA), specification sheet, or PubChem record for CID 50996844 for definitive structural information.
Typical 2D structure description for small-molecule ligands includes identification of core scaffold (e.g., heteroaromatic, biaryl, fused bicyclic), pendant functional groups (e.g., amide, sulfonamide, nitrile), hydrogen-bond donors/acceptors, formal charge, and stereocenters. Provide these after confirming the exact structure from the item’s CoA.
Synthetic Utility
Primary positioning: AZ4800 is part of a Moligand™ screening collection; its primary value is as a test ligand, not as a synthetic reagent. Without a disclosed structure, specific synthetic transformations cannot be prescribed.
General considerations if derivatization is pursued (after confirming structure):
Handle-based functionalization: If the scaffold contains common functional handles (anilines, phenols, carboxylic acids, halides, nitriles), standard cross-couplings (Suzuki–Miyaura, Buchwald–Hartwig, Sonogashira), acylations/sulfonylations, or nucleophilic substitutions can enable SAR expansion.
Protecting groups: Choose orthogonal protection suitable for the functional group set (e.g., Boc/CBz for amines; TBDMS/TBS for alcohols) and confirm stability under planned assay conditions.
Late-stage diversification: C–H activation, photocatalytic Minisci, or electrochemical methods can modify heteroaromatics if the core supports such chemistry.
Analytical checkpoints:
Confirm identity and purity after each modification by LC–MS and 1H NMR; quantify residual metals (if relevant) for biological assays.
Note: Do not assume reactivity for AZ4800 until the exact structure from the CoA is available. All synthetic work should be designed around verified functional groups and stability liabilities.
Target Specificity
Item-specific target information is not provided for AZ4800.
Notes:
No antigen, protein target, binding site, or selectivity panel data are included in the Product Data. Do not assume selectivity or mechanism of action.
For users evaluating AZ4800 as a probe, determine target engagement and specificity using orthogonal assays (e.g., biochemical IC50/Ki, SPR KD, cellular target engagement by CETSA or NanoBRET) and off-target profiling relevant to your system.
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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