MCULE-7994299448
- 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 | 6 USD | 98 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 USD | 98 | 14 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-7994299448.sdf |
| SMILES | MCULE-7994299448.smiles |
| Standard InChI | MCULE-7994299448.inchi |
| InChIKey | MCULE-7994299448.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867567685 | 98 | As is | in stock |
| P-875727478 | N/A | As is | in stock |
| P-869194860 | 95 | As is | in stock |
| P-590394813 | 98 | As is | in stock |
| P-903056450 | 98 | As is | 300 g |
| P-905484267 | 95 | As is | 1000 mg |
| P-893519988 | 90 | As is | 2.13906 kg |
| P-901164369 | 98 | As is | in stock |
| P-893334687 | 95 | As is | by synthesis |
| P-606920858 | N/A | As is | in stock |
| P-489187566 | 97 | As is | in stock |
| P-596947849 | 98 | As is | 500 g |
| P-494346888 | 95 | As is | 21.75 g |
| P-864133762 | 95 | As is | in stock |
| P-481168805 | 95 | As is | 52 g |
| P-580706379 | 98 | As is | 37.5 g |
| P-851270531 | 95 | As is | by synthesis |
| P-868558313 | 96 | As is | in stock |
| P-580283613 | N/A | As is | by resynthesis (? - ? days) |
| P-905335689 | 95 | As is | 112 g |
| P-901369994 | 95 | As is | 112 g |
| P-861980633 | 95 | As is | 112 g |
| P-502445394 | 95 | As is | by synthesis |
| P-503087739 | 90 | As is | by synthesis |
| P-575366013 | 95 | As is | 89 mg |
| P-454404904 | 95 | As is | 5 g |
| P-615648985 | 95 | As is | in stock |
| P-608097535 | 95 | As is | unavailable |
| P-581744836 | N/A | As is | 10 g |
| P-852404295 | N/A | As is | in stock |
| P-854723020 | 95 | As is | in stock |
| P-888864287 | N/A | As is | in stock |
| P-500391902 | 97 | As is | by synthesis |
| P-491069741 | 95 | As is | by synthesis |
| P-896076281 | N/A | As is | 10.338 g |
| P-596757137 | 95 | As is | 282.5 g |
| P-502360652 | 90 | As is | in stock |
| P-906904060 | 98 | As is | in stock |
| P-611345051 | 90 | As is | in stock |
| P-893945351 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 171.971 |
| logP | -0.8739 |
| H-bond acceptors | 4 |
| H-bond donors | 3 |
| Rotatable bonds | 2 |
| PSA | 106.0 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 41.1039 |
| Atoms | 16 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 5 |
| Heteroatoms | 6 |
| N/O atoms | 4 |
| 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 |

