Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1326588678
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 | 40 USD | N/A | 9 working days | Get Quote |
| 5 mg | 40 USD | N/A | 9 working days | Get Quote |
| 10 mg | 40 USD | N/A | 9 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-2808111219
- Component type: Main
-
1
MCULE-3743781291
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1326588678.sdf |
| SMILES | MCULE-1326588678.smiles |
| Standard InChI | MCULE-1326588678.inchi |
| InChIKey | MCULE-1326588678.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867668675 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875842884 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-851899644 | AmBeed | On request | N/A | As is | by synthesis |
| P-611142650 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
| P-861377528 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-862057628 | FluoroChem | General BB | 95 | As is | in stock |
| P-855949925 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
| P-895228882 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-893665171 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| P-867494294 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
| P-851615076 | AmBeed | On request | N/A | Main component | by synthesis |
| P-590849375 | BLD pharm | Non-stock building blocks | 98 | Main component | by synthesis |
| P-884981522 | Innovapharm | Virtual Building Blocks | 95 | Main component | by synthesis |
| P-868739760 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| P-885980946 | A2B Chem | Predominantly Building Block on demand | 95 | Main component as a main component | by synthesis |
| P-601038957 | Life Chemicals | Screening Compounds | 90 | Main component as a main component | in stock |
| P-881171724 | Life Chemicals | Building Blocks - virtual | 95 | Main component as a main component | by synthesis |
| P-895421434 | MedChemExpress | Building Blocks on demand | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 244.287 |
| logP | 1.5968 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 2 |
| PSA | 103.86 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 66.328 |
| Atoms | 37 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 20 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
