MCULE-1857560991
- 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 | 57 USD | N/A | 9 working days | Get Quote |
| 5 mg | 57 USD | N/A | 9 working days | Get Quote |
| 10 mg | 57 USD | N/A | 9 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.
-
MCULE-7907103308
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1857560991.sdf |
| SMILES | MCULE-1857560991.smiles |
| Standard InChI | MCULE-1857560991.inchi |
| InChIKey | MCULE-1857560991.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-901194628 | N/A | As is | by synthesis |
| P-869269553 | 95 | As is | in stock |
| P-903131536 | 95 | As is | 5 g |
| P-610976505 | 90 | As is | 18.7 g |
| P-580253913 | 95 | As is | by synthesis |
| P-851954431 | N/A | As is | in stock |
| P-865917559 | 95 | As is | 5 g |
| P-864155925 | 95 | As is | in stock |
| P-901535057 | 95 | As is | by synthesis |
| P-861420742 | 95 | As is | by synthesis |
| P-579515972 | 90 | As is | 1000 mg |
| P-890209790 | 90 | As is | in stock |
| P-502551602 | 95 | As is | by synthesis |
| P-524173820 | 95 | As is | unavailable |
| P-613277286 | 95 | As is | by synthesis |
| P-888842682 | N/A | As is | by synthesis |
| P-856067923 | 95 | As is | in stock |
| P-611574515 | 90 | As is | in stock |
| P-667018161 | 95 | As is | in stock |
| P-872809135 | 95 | As a main component | by synthesis |
| P-851461864 | N/A | As a main component | by synthesis |
| P-611197062 | 95 | As a main component | by synthesis |
| P-611372228 | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 169.649 |
| logP | 2.9316 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 26.02 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 48.7394 |
| Atoms | 23 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 12 |
| Heteroatoms | 2 |
| N/O atoms | 1 |
| 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 |

