Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3053394918
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 | 53 USD | 99 | 15 working days | Get Quote |
| 5 mg | 156 USD | 99 | 15 working days | Get Quote |
| 10 mg | 266 USD | 99 | 15 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-3053394918.sdf |
| SMILES | MCULE-3053394918.smiles |
| Standard InChI | MCULE-3053394918.inchi |
| InChIKey | MCULE-3053394918.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867660084 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875828369 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-615724613 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-903162939 | Aaron Chemicals LLC | Predominantly Building Block | 98 | As is | 1.25 g |
| P-903202890 | Aaron Chemicals LLC | Predominantly Building Block | 99 | As is | 50 mg |
| P-893523450 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 185 mg |
| P-580235037 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
| P-888934317 | AmBeed | In stock | N/A | As is | in stock |
| P-489233466 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-888822183 | Angene | Building Blocks in stock | 98 | As is | 50 mg |
| P-889772771 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-890240766 | BLD pharm | In-stock building blocks | 99 | As is | 44 mg |
| P-900267997 | BOC Sciences | All products | N/A | As is | by resynthesis (? - ? days) |
| P-893268563 | Biosynth | Synthesis | 95 | As is | by synthesis |
| P-452652611 | Chemfaces | Natural Compounds | 98 | As is | in stock |
| P-887202768 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-873246113 | Key Organics | Building Blocks | 97 | As is | 5 mg |
| P-852466678 | Matrix Scientific | All | N/A | As is | in stock |
| P-896628676 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
| P-854693107 | MedChemExpress | Natural Products In stock | 95 | As is | in stock |
| P-871069256 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-878642454 | Molnova | Stock | 98 | As is | in stock |
| P-892277590 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-869179280 | TargetMol | Natural Products | 95 | As is | in stock |
| P-892301222 | TargetMol | In Stock BB | 95 | As is | unavailable |
| P-892353469 | TargetMol | Screening Compounds - stock amount | 95 | As is | 50 mg |
| P-611401379 | Toronto Research | In stock | 90 | As is | in stock |
| P-611358193 | Toronto Research | In stock | 90 | As is | in stock |
| P-886969482 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 396.432 |
| logP | 4.786 |
| H-bond acceptors | 6 |
| H-bond donors | 4 |
| Rotatable bonds | 4 |
| PSA | 111.13 |
| RO5 violations | 0 |
| RO3 violations | 6 |
| Refractivity | 115.522 |
| Atoms | 53 |
| Rings | 3 |
| Heavy atoms | 29 |
| Hydrogen atoms | 24 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
