MCULE-2420804429
- 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 | 95 | 12 working days | Get Quote |
| 5 mg | 53 USD | 95 | 12 working days | Get Quote |
| 10 mg | 78 USD | 95 | 12 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.
-
1
MCULE-7531746197
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2420804429.sdf |
| SMILES | MCULE-2420804429.smiles |
| Standard InChI | MCULE-2420804429.inchi |
| InChIKey | MCULE-2420804429.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-872840013 | N/A | Main component | in stock |
| P-875871984 | N/A | Main component | in stock |
| P-893514685 | 90 | Main component | 300 mg |
| P-851422420 | N/A | Main component | by synthesis |
| P-895109019 | N/A | Main component | 100 mg |
| P-1273264576 | 95 | Main component | by resynthesis (? - ? days) |
| P-1275211181 | 99 | Main component | in stock |
| P-619590413 | 98 | Main component | by synthesis |
| P-901553815 | 95 | Main component | by synthesis |
| P-887200882 | 95 | Main component | by synthesis |
| P-888621086 | 95 | Main component | 1 mg |
| P-854701640 | 95 | Main component | by synthesis |
| P-892287283 | 95 | Main component | unavailable |
| P-869109538 | 95 | Main component | 1.435 g |
| P-888628130 | 95 | Main component | 1.433 g |
| P-1271625663 | 99 | Main component | in stock |
| P-1266265133 | 98 | Main component as a main component | in stock |
| P-901303916 | 98 | Main component as a main component | in stock |
| P-905010359 | N/A | Main component as a main component | by synthesis |
| P-889795744 | 95 | Main component as a main component | by synthesis |
| P-905565586 | 95 | Main component as a main component | by synthesis |
| P-873251597 | 97 | Main component as a main component | 5 mg |
| P-854712081 | 95 | Main component as a main component | in stock |
| P-892271130 | 95 | Main component as a main component | unavailable |
| P-869109537 | 95 | Main component as a main component | unavailable |
| P-892348932 | 95 | Main component as a main component | unavailable |
| P-888628129 | 95 | Main component as a main component | unavailable |
| P-1271414424 | 98 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 529.111 |
| logP | 6.181 |
| H-bond acceptors | 7 |
| H-bond donors | 1 |
| Rotatable bonds | 10 |
| PSA | 63.0 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 160.7437 |
| Atoms | 78 |
| Rings | 5 |
| Heavy atoms | 37 |
| Hydrogen atoms | 41 |
| Heteroatoms | 8 |
| N/O atoms | 7 |
| 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 |

