MCULE-1705364415
- 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 | 12 USD | 97 | 20 working days | Get Quote |
| 5 mg | 12 USD | 97 | 20 working days | Get Quote |
| 10 mg | 12 USD | 97 | 20 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-1705364415.sdf |
| SMILES | MCULE-1705364415.smiles |
| Standard InChI | MCULE-1705364415.inchi |
| InChIKey | MCULE-1705364415.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-872830906 | 95 | As is | in stock |
| P-875801016 | 95 | As is | in stock |
| P-903155082 | 97 | As is | 200 g |
| P-893551595 | 90 | As is | 232.39 g |
| P-1270288155 | 98 | As is | in stock |
| P-868820985 | N/A | As is | in stock |
| P-865920869 | 97 | As is | 200 g |
| P-895940980 | 95 | As is | by resynthesis (? - ? days) |
| P-596326462 | 90 | As is | 137 mg |
| P-869389737 | 95 | As is | in stock |
| P-866716220 | 95 | As is | 2.2 g |
| P-861341559 | 95 | As is | by synthesis |
| P-889300406 | 95 | As is | 13.04 g |
| P-855987091 | 97 | As is | 100 mg |
| P-855399156 | 95 | As is | in stock |
| P-33547016 | 94 | As is | by resynthesis (? - ? days) |
| P-855356683 | 90 | As is | in stock |
| P-1271702107 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 330.807 |
| logP | 6.0641 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 28.68 |
| RO5 violations | 1 |
| RO3 violations | 2 |
| Refractivity | 99.9057 |
| Atoms | 39 |
| Rings | 4 |
| Heavy atoms | 24 |
| Hydrogen atoms | 15 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |

