MCULE-1579680807
- 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 | 28 USD | 92 | 18 working days | Get Quote |
| 5 mg | 43 USD | 92 | 18 working days | Get Quote |
| 10 mg | 54 USD | 92 | 18 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-1579680807.sdf |
| SMILES | MCULE-1579680807.smiles |
| Standard InChI | MCULE-1579680807.inchi |
| InChIKey | MCULE-1579680807.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-852069551 | 95 | As is | by synthesis |
| P-890140490 | 95 | As is | in stock |
| P-597018147 | 95 | As is | unavailable |
| P-894653456 | 95 | As is | by resynthesis (? - ? days) |
| P-881619612 | N/A | As is | by synthesis |
| P-866727494 | 95 | As is | 1.44 g |
| P-590793330 | 95 | As is | by synthesis |
| P-1272244871 | 90 | As is | 28 mg |
| P-861447855 | 95 | As is | by synthesis |
| P-888750858 | 90 | As is | in stock |
| P-864497182 | 90 | As is | in stock |
| P-569198123 | 90 | As is | in stock |
| P-579802949 | 90 | As is | in stock |
| P-569433979 | 95 | As is | 60.985 g |
| P-896539686 | 98 | As is | 5 g |
| P-526332712 | 95 | As is | in stock |
| P-502983757 | 90 | As is | in stock |
| P-488544357 | 90 | As is | in stock |
| P-14004679 | 92 | As is | 300 mg |
| P-454407468 | 95 | As is | 147 mg |
| P-454329966 | 95 | As is | 147 mg |
| P-31244887 | 90 | As is | unavailable |
| P-854920928 | 95 | As is | by synthesis |
| P-617685772 | 95 | As is | 61.04 g |
| P-26369230 | 90 | As is | 61.04 g |
| P-454364000 | 92 | As is | in stock |
| P-13802657 | 92 | As is | 300 mg |
| P-856072472 | 95 | As is | in stock |
| P-19678586 | 90 | As is | in stock |
| P-502404393 | 90 | As is | in stock |
| P-1272904225 | 94 | As is | by resynthesis (? - ? days) |
| P-855212670 | 90 | As is | in stock |
| P-2376797 | 90 | As is | 122 mg |
| P-1271444712 | 97 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 232.235 |
| logP | 0.9507 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 72.19 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 63.6168 |
| Atoms | 29 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 12 |
| Heteroatoms | 5 |
| 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 |

