Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2297125316-0
Structure
Show compound
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 | 79 USD | 98 | 18 working days | Get Quote |
| 5 mg | 79 USD | 98 | 18 working days | Get Quote |
| 10 mg | 79 USD | 98 | 18 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-5929366971-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2297125316-0.sdf |
| SMILES | MCULE-2297125316-0.smiles |
| Standard InChI | MCULE-2297125316-0.inchi |
| InChIKey | MCULE-2297125316-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867588701 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875747676 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-853441463 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-851937604 | AmBeed | In stock | N/A | As is | in stock |
| P-619179836 | Angene | Building Blocks in stock | 98 | As is | 749 mg |
| P-864122348 | AstaTech | In Stock BBs | 97 | As is | in stock |
| P-871219295 | BOC Sciences | All products | N/A | As is | by resynthesis (? - ? days) |
| P-851339764 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-861491903 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-675214028 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-855984448 | Key Organics | Building Blocks | 97 | As is | 5 mg |
| P-584622233 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-885533102 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-888639940 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-869126598 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-611486969 | Toronto Research | In stock | 90 | As is | in stock |
| P-611461627 | Toronto Research | In stock | 90 | As is | in stock |
| P-851487598 | AmBeed | On request | N/A | Main component | by synthesis |
| P-666939442 | BLD pharm | Non-stock building blocks | 97 | Main component | by synthesis |
| P-888621696 | Key Organics | Building Blocks | 95 | Main component | 1 mg |
| P-888173855 | Molnova | On demand | 98 | Main component | by synthesis |
| P-888639941 | TargetMol | Screening Compounds | 95 | Main component | by synthesis |
| P-869126599 | TargetMol | Screening Compounds - stock amount | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 462.020 |
| logP | 6.815 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 7 |
| PSA | 21.7 |
| RO5 violations | 1 |
| RO3 violations | 3 |
| Refractivity | 142.639 |
| Atoms | 65 |
| Rings | 5 |
| Heavy atoms | 33 |
| Hydrogen atoms | 32 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| 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 |
