Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8690055201
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 | 25 USD | 98 | 16 working days | Get Quote |
| 5 mg | 39 USD | 98 | 16 working days | Get Quote |
| 10 mg | 66 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-8690055201.sdf |
| SMILES | MCULE-8690055201.smiles |
| Standard InChI | MCULE-8690055201.inchi |
| InChIKey | MCULE-8690055201.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867592873 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875751545 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-579762145 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-610957492 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 1.595 g |
| P-489134664 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596984695 | Angene | Building Blocks in stock | 98 | As is | 500 mg |
| P-580194269 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
| P-864230222 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-871219281 | BOC Sciences | All products | N/A | As is | by resynthesis (? - ? days) |
| P-851268148 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-860797986 | Chiralstar | Chiralstar Building Blocks | 98 | As is | in stock |
| P-580452078 | CliniSciences S.A.S | All products | 99 | As is | in stock |
| P-579479103 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
| P-870661662 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
| P-675215963 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-596562082 | Key Organics | Building Blocks | 97 | As is | 10 mg |
| P-854711630 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-584623326 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-608277430 | Molnova | Stock | 98 | As is | in stock |
| P-579710254 | Selleckchem | Product Catalog | N/A | As is | in stock |
| P-888644448 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-464641360 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-868506334 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 409.949 |
| logP | 5.8024 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 7 |
| PSA | 48.13 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 124.8209 |
| Atoms | 57 |
| Rings | 4 |
| Heavy atoms | 29 |
| Hydrogen atoms | 28 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
