MCULE-7439052025
- 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 | 40 USD | 90 | 22 working days | Get Quote |
| 5 mg | 58 USD | 90 | 22 working days | Get Quote |
| 10 mg | 73 USD | 90 | 22 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-3475217874
- Component type: Main
-
1
MCULE-3169739755
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-7439052025.sdf |
| SMILES | MCULE-7439052025.smiles |
| Standard InChI | MCULE-7439052025.inchi |
| InChIKey | MCULE-7439052025.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875765540 | N/A | Main component | in stock |
| P-612939339 | 95 | Main component | in stock |
| P-903102689 | 95 | Main component | 1000 mg |
| P-893454728 | 90 | Main component | 1.409 g |
| P-907314796 | 95 | Main component | by synthesis |
| P-851815862 | N/A | Main component | by synthesis |
| P-869991740 | 90 | Main component | 1000 mg |
| P-864220094 | 95 | Main component | by synthesis |
| P-590973048 | 95 | Main component | by synthesis |
| P-901457644 | 95 | Main component | by synthesis |
| P-4465305 | 90 | Main component | 50 mg |
| P-454676738 | 90 | Main component | in stock |
| P-3374673 | 90 | Main component | 42 mg |
| P-289 | 90 | Main component | 11 g |
| P-107527 | 90 | Main component | 1.723 g |
| P-868647234 | 96 | Main component | in stock |
| P-34673258 | 90 | Main component | by synthesis |
| P-580785915 | 90 | Main component | by resynthesis (? - ? days) |
| P-580442278 | 95 | Main component | by resynthesis (? - ? days) |
| P-590340375 | 90 | Main component | 1000 mg |
| P-890217942 | 90 | Main component | 1000 mg |
| P-502510972 | 95 | Main component | by synthesis |
| P-563524124 | 95 | Main component | 1000 mg |
| P-601058723 | 90 | Main component | 204 mg |
| P-14059966 | 95 | Main component | 204 mg |
| P-852380460 | N/A | Main component | in stock |
| P-895263299 | 95 | Main component | by synthesis |
| P-870926366 | 90 | Main component | 290 mg |
| P-1263768452 | 95 | Main component | in stock |
| P-596795220 | 95 | Main component | by synthesis |
| P-19463530 | 90 | Main component | in stock |
| P-33483121 | 90 | Main component | in stock |
| P-502327514 | 90 | Main component | in stock |
| P-888364772 | 94 | Main component | by resynthesis (? - ? days) |
| P-875268444 | 90 | Main component | 3 mg |
| P-899592796 | 90 | Main component | 3 mg |
| P-33186177 | 90 | Main component | 3 mg |
| P-899592623 | 90 | Main component | 3 mg |
| P-611429579 | 90 | Main component | in stock |
| P-2215982 | 90 | Main component | 110 mg |
| P-893875674 | 95 | Main component | by synthesis |
| P-886140254 | N/A | Main component as a main component | by synthesis |
| P-675372502 | 90 | Main component as a main component | in stock |
| P-666799158 | 90 | Main component as a main component | 35 mg |
| P-637268658 | 90 | Main component as a main component | by synthesis |
| P-896082312 | N/A | Main component as a main component | 18 mg |
| P-33236781 | 90 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 378.470 |
| logP | 5.3046 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 139.13 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 99.7132 |
| Atoms | 43 |
| Rings | 3 |
| Heavy atoms | 25 |
| Hydrogen atoms | 18 |
| Heteroatoms | 8 |
| N/O atoms | 6 |
| 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 |

