Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9101599467
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 | 45 USD | 90 | 21 working days | Get Quote |
| 5 mg | 72 USD | 95 | 21 working days | Get Quote |
| 10 mg | 72 USD | 95 | 21 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.
-
1
MCULE-7846533532
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9101599467.sdf |
| SMILES | MCULE-9101599467.smiles |
| Standard InChI | MCULE-9101599467.inchi |
| InChIKey | MCULE-9101599467.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-612869653 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
| P-851869924 | AmBeed | On request | N/A | As is | by synthesis |
| P-611156321 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
| P-616225179 | ChemBridge | Building Block Library | 95 | As is | in stock |
| P-4137839 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 100 mg |
| P-855949613 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
| P-895629006 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-867303763 | A2B Chem | Predominantly Building Block on demand | 95 | Main component | by synthesis |
| P-612942503 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-893449710 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component | 654 mg |
| P-851657036 | AmBeed | On request | N/A | Main component | by synthesis |
| P-489151844 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component | in stock |
| P-596439251 | Asinex | General screening catalog | 90 | Main component | 39 mg |
| P-596516706 | Asinex | General bb catalog | 90 | Main component | 39 mg |
| P-889841136 | AstaTech | Backordered BBs | 95 | Main component | by synthesis |
| P-591029328 | BLD pharm | Non-stock building blocks | 95 | Main component | by synthesis |
| P-896634093 | Chemshuttle | Stock catalog | 95 | Main component | 650 mg |
| P-580437675 | Debye Scientific | General Catalog | 95 | Main component | by resynthesis (? - ? days) |
| P-502505974 | Innovapharm | Virtual Building Blocks | 95 | Main component | by synthesis |
| P-891641360 | Key Organics | Building Blocks | 95 | Main component | 250 mg |
| P-852389007 | Matrix Scientific | All | N/A | Main component | in stock |
| P-864001204 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| P-12464677 | Otava | In-House Stock Library | 90 | Main component | 2.996 g |
| P-492277484 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | Main component | 2.996 g |
| P-502331697 | TimTec | Building Block Collection | 90 | Main component | in stock |
| P-855214614 | Toronto Research | In stock | 90 | Main component | in stock |
| P-893719603 | eNovation Chemicals LLC | Building Block on demand | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 235.707 |
| logP | 4.3276 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 35.25 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 69.7394 |
| Atoms | 30 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 14 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| 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 |
