Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3234801713
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 | 93 USD | 98 | 17 working days | Get Quote |
| 5 mg | 93 USD | 98 | 17 working days | Get Quote |
| 10 mg | 93 USD | 98 | 17 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-1541732906
- Component type: Main
-
1
MCULE-6152801555
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3234801713.sdf |
| SMILES | MCULE-3234801713.smiles |
| Standard InChI | MCULE-3234801713.inchi |
| InChIKey | MCULE-3234801713.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-870653779 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
| P-878212451 | Key Organics | Building Blocks | 95 | As is | 1 mg |
| P-33163217 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 52 mg |
| P-873246178 | Key Organics | Building Blocks | 97 | Main component | 5 mg |
| P-596564287 | Key Organics | Building Blocks | 97 | Main component | 5 g |
| P-619673869 | Molnova | Stock | 98 | Main component | in stock |
| P-885550121 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
| P-870662809 | Glentham Life Sciences | Compounds maintained in stock | 98 | Main component as a main component | in stock |
| P-870658861 | Glentham Life Sciences | Compounds typically in stock | N/A | Main component as a main component | in stock |
| P-878207515 | Key Organics | Building Blocks | 95 | Main component as a main component | 10 mg |
| P-524168927 | Key Organics | Building Blocks | 95 | Main component as a main component | 1000 mg |
| P-893940241 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 526.353 |
| logP | 0.3575 |
| H-bond acceptors | 11 |
| H-bond donors | 5 |
| Rotatable bonds | 7 |
| PSA | 207.93 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 113.5802 |
| Atoms | 51 |
| Rings | 3 |
| Heavy atoms | 28 |
| Hydrogen atoms | 23 |
| Heteroatoms | 13 |
| N/O atoms | 11 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 6 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 6 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
