MCULE-3407632089
- 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 | 32 USD | 99 | 15 working days | Get Quote |
| 5 mg | 38 USD | 99 | 15 working days | Get Quote |
| 10 mg | 55 USD | 99 | 15 working days | Get Quote |
- 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.
| Name | File |
|---|---|
| SDF | MCULE-3407632089.sdf |
| SMILES | MCULE-3407632089.smiles |
| Standard InChI | MCULE-3407632089.inchi |
| InChIKey | MCULE-3407632089.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-903043346 | 99 | As is | 200 mg |
| P-893584358 | 90 | As is | 3.785 g |
| P-615699220 | 99 | As is | 294 mg |
| P-871212365 | 95 | As is | by synthesis |
| P-861378420 | 95 | As is | by synthesis |
| P-868658976 | 95 | As is | in stock |
| P-854717808 | 95 | As is | in stock |
| P-584620507 | 95 | As is | in stock |
| P-878644457 | 98 | As is | in stock |
| P-906837723 | 97 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 522.595 |
| logP | 3.9463 |
| H-bond acceptors | 11 |
| H-bond donors | 2 |
| Rotatable bonds | 10 |
| PSA | 132.14 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 151.2291 |
| Atoms | 72 |
| Rings | 4 |
| Heavy atoms | 38 |
| Hydrogen atoms | 34 |
| Heteroatoms | 11 |
| N/O atoms | 11 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |

