Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5820500348
Compound
Show structure
In order to add this molecule to a collection you have to create an account.
Sign up for free
- InChIKey:
- SMILES:
- InChI:
- Formula:
| Amount | Price
 Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
|---|---|---|---|---|
| 1 mg | 37 USD | 98 | 16 working days | Get Quote |
| 5 mg | 59 USD | 98 | 16 working days | Get Quote |
| 10 mg | 93 USD | 98 | 16 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- Toxicity checker Searching for substructures commonly found in toxic and promiscuous ligands.
- Property calculator Create a physicochemical property profile for the compound in a second.
- Similarity search Find analogs by similarity search.
- Substructure search Find analogs by substructure search.
| Name | File |
|---|---|
| SDF | MCULE-5820500348.sdf |
| SMILES | MCULE-5820500348.smiles |
| Standard InChI | MCULE-5820500348.inchi |
| InChIKey | MCULE-5820500348.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-875759219 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-489187857 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-851242982 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-887184099 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-852521015 | Matrix Scientific | All | N/A | As is | in stock |
| P-854718357 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-584619166 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-608277676 | Molnova | Stock | 98 | As is | in stock |
| P-867602235 | A2B Chem | Predominantly Building Block in stock | 95 | As an isomer | in stock |
| P-613854111 | AK Scientific | Building Blocks | 98 | As an isomer | in stock |
| P-610960929 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As an isomer | 3.1 g |
| P-881612322 | AmBeed | In stock | N/A | As an isomer | in stock |
| P-580193348 | Apexbio Technology | Bioactive Compound Library | 98 | As an isomer | in stock |
| P-605394436 | Apollo Scientific | On request | 95 | As an isomer | by resynthesis (? - ? days) |
| P-889578435 | AstaTech | In Stock BBs | 95 | As an isomer | in stock |
| P-868543939 | Axon Medchem | Axon predominantly SC catalog | 99 | As an isomer | in stock |
| P-860797762 | Chiralstar | Chiralstar Building Blocks | 98 | As an isomer | in stock |
| P-580401618 | Debye Scientific | General Catalog | 95 | As an isomer | by resynthesis (? - ? days) |
| P-868079269 | Hangzhou Apichem | Building Blocks in stock | 95 | As an isomer | in stock |
| P-873244222 | Key Organics | Building Blocks | 97 | As an isomer | 5 mg |
| P-885544180 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As an isomer | by synthesis |
| P-579709878 | Selleckchem | Product Catalog | N/A | As an isomer | in stock |
| P-579699664 | Sinova Inc. | Building Blocks (on-demand) | N/A | As an isomer | in stock |
| P-888657465 | TargetMol | Screening Compounds | 95 | As an isomer | by synthesis |
| P-869162074 | TargetMol | Screening Compounds - stock amount | 95 | As an isomer | in stock |
| P-855066100 | Toronto Research | In stock | 90 | As an isomer | in stock |
| P-480878181 | eNovation Chemicals LLC | Building Blocks in stock | 99 | As an isomer | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 334.371 |
| logP | 2.7289 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 83.53 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 95.1643 |
| Atoms | 43 |
| Rings | 4 |
| Heavy atoms | 25 |
| Hydrogen atoms | 18 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
