Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4773978948
Compound
Show structures
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 | 33 USD | 90 | 17 working days | Get Quote |
| 5 mg | 50 USD | 90 | 17 working days | Get Quote |
| 10 mg | 64 USD | 90 | 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.
-
MCULE-3206261439
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4773978948.sdf |
| SMILES | MCULE-4773978948.smiles |
| Standard InChI | MCULE-4773978948.inchi |
| InChIKey | MCULE-4773978948.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-448703753 | ChemDiv | Discovery Chemistry Library | 90 | As is | 50 mg |
| P-500417216 | Glentham Life Sciences | Compounds maintained in stock | 98 | As is | in stock |
| P-855964747 | Key Organics | Building Blocks | 97 | As is | 5 g |
| P-881189511 | Otava | In-House Stock Library | 90 | As is | 50 mg |
| P-19098050 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885523071 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-3221953 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.308 g |
| P-825070 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.308 g |
| P-886184273 | A2B Chem | Predominantly Building Block on demand | N/A | As a main component | by synthesis |
| P-619325589 | ChemDiv | Discovery Chemistry Library | 90 | As a main component | 39 mg |
| P-870661959 | Glentham Life Sciences | Compounds typically in stock | 95 | As a main component | in stock |
| P-870662299 | Glentham Life Sciences | Compounds maintained in stock | 90 | As a main component | in stock |
| P-25747175 | Life Chemicals | Screening Compounds | 90 | As a main component | 47 mg |
| P-675078618 | Princeton Biomolecular Research | Screening Compounds | 90 | As a main component | in stock |
| P-885538650 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As a main component | by synthesis |
| P-873033281 | TimTec | ActiMol 1 Week - Stock | 90 | As a main component | 604 mg |
| P-617758499 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As a main component | 1.087 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 454.515 |
| logP | -0.3073 |
| H-bond acceptors | 12 |
| H-bond donors | 2 |
| Rotatable bonds | 8 |
| PSA | 234.93 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 106.6905 |
| Atoms | 43 |
| Rings | 4 |
| Heavy atoms | 29 |
| Hydrogen atoms | 14 |
| Heteroatoms | 15 |
| N/O atoms | 12 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
