MCULE-9769983401
- 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 | 25 USD | 98 | 20 working days | Get Quote |
| 5 mg | 25 USD | 98 | 20 working days | Get Quote |
| 10 mg | 62 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-9769983401.sdf |
| SMILES | MCULE-9769983401.smiles |
| Standard InChI | MCULE-9769983401.inchi |
| InChIKey | MCULE-9769983401.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892852940 | 98 | As is | in stock |
| P-890140982 | N/A | As is | in stock |
| P-903033300 | 98 | As is | 2 g |
| P-1264054453 | 95 | As is | in stock |
| P-893589848 | 90 | As is | 2.4 g |
| P-901179049 | N/A | As is | in stock |
| P-619125791 | 98 | As is | 2 g |
| P-864199152 | 95 | As is | in stock |
| P-901916871 | 99 | As is | 38 mg |
| P-901524915 | 95 | As is | by synthesis |
| P-871212157 | 95 | As is | by synthesis |
| P-861384407 | 95 | As is | by synthesis |
| P-868658966 | 95 | As is | in stock |
| P-870659946 | N/A | As is | in stock |
| P-855914999 | 97 | As is | 1000 mg |
| P-895181219 | 95 | As is | in stock |
| P-872678551 | 95 | As is | in stock |
| P-888172676 | 98 | As is | by synthesis |
| P-888842686 | N/A | As is | by synthesis |
| P-869163457 | 95 | As is | by synthesis |
| P-892299653 | 95 | As is | unavailable |
| P-888658816 | 95 | As is | 145 mg |
| P-906814339 | 98 | As is | by synthesis |
| P-611377202 | 90 | As is | in stock |
| P-667019105 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 299.350 |
| logP | 4.3528 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 93.46 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 83.2611 |
| Atoms | 34 |
| Rings | 3 |
| Heavy atoms | 21 |
| Hydrogen atoms | 13 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| 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 |

