MCULE-3305413637
- 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 | 13 USD | 98 | 14 working days | Get Quote |
| 5 mg | 13 USD | 98 | 14 working days | Get Quote |
| 10 mg | 13 USD | 98 | 14 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-3305413637.sdf |
| SMILES | MCULE-3305413637.smiles |
| Standard InChI | MCULE-3305413637.inchi |
| InChIKey | MCULE-3305413637.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-901258426 | N/A | As is | in stock |
| P-590379290 | 95 | As is | in stock |
| P-903067974 | 98 | As is | 500 g |
| P-606867628 | N/A | As is | in stock |
| P-596988240 | 98 | As is | 500 g |
| P-585299028 | 95 | As is | by resynthesis (? - ? days) |
| P-864175366 | 98 | As is | in stock |
| P-904994017 | 98 | As is | 8.2 g |
| P-868628073 | 98 | As is | in stock |
| P-505492708 | 95 | As is | in stock |
| P-855955043 | 97 | As is | 1000 mg |
| P-895256609 | 95 | As is | by synthesis |
| P-885558842 | 95 | As is | by synthesis |
| P-23140368 | 90 | As is | in stock |
| P-873222742 | 90 | As is | in stock |
| P-666974025 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 188.269 |
| logP | 2.73498 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 27.03 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 59.785 |
| Atoms | 30 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 16 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |

