MCULE-6302913162
- 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 | 62 USD | 95 | 35 working days | Get Quote |
| 5 mg | 65 USD | 98 | 15 working days | Get Quote |
| 10 mg | 97 USD | 98 | 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-6302913162.sdf |
| SMILES | MCULE-6302913162.smiles |
| Standard InChI | MCULE-6302913162.inchi |
| InChIKey | MCULE-6302913162.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867679834 | 99 | As is | in stock |
| P-875857302 | N/A | As is | in stock |
| P-892785797 | 95 | As is | in stock |
| P-903310849 | 98 | As is | 30 mg |
| P-606918992 | N/A | As is | in stock |
| P-865932106 | 98 | As is | 50 mg |
| P-889777708 | 95 | As is | in stock |
| P-590634937 | 98 | As is | 109 mg |
| P-851277302 | 95 | As is | by synthesis |
| P-861381172 | 95 | As is | by synthesis |
| P-608495821 | 95 | As is | in stock |
| P-873244249 | 97 | As is | 10 mg |
| P-854713825 | 95 | As is | in stock |
| P-869119607 | 95 | As is | by synthesis |
| P-888634499 | 95 | As is | unavailable |
| P-868539634 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 335.359 |
| logP | 3.923 |
| H-bond acceptors | 7 |
| H-bond donors | 4 |
| Rotatable bonds | 5 |
| PSA | 113.16 |
| RO5 violations | 0 |
| RO3 violations | 6 |
| Refractivity | 96.2033 |
| Atoms | 42 |
| Rings | 3 |
| Heavy atoms | 25 |
| Hydrogen atoms | 17 |
| Heteroatoms | 7 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |

