MCULE-4807626265-0
- 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 | 13 USD | 98 | 14 working days | Get Quote |
| 5 mg | 13 USD | 98 | 14 working days | Get Quote |
| 10 mg | 13 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.
-
1
MCULE-7278684735-0
- Component type: Main
-
2
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4807626265-0.sdf |
| SMILES | MCULE-4807626265-0.smiles |
| Standard InChI | MCULE-4807626265-0.inchi |
| InChIKey | MCULE-4807626265-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875688536 | 98 | As is | in stock |
| P-580194655 | 98 | As is | in stock |
| P-903007706 | 98 | As is | 8 g |
| P-1264047939 | 95 | As is | in stock |
| P-893618590 | 90 | As is | 18.457 g |
| P-596935690 | 98 | As is | 5 g |
| P-1273456214 | 95 | As is | by resynthesis (? - ? days) |
| P-864176167 | 98 | As is | in stock |
| P-893232748 | 95 | As is | in stock |
| P-505574361 | 98 | As is | in stock |
| P-851247467 | 95 | As is | by synthesis |
| P-608497182 | 95 | As is | in stock |
| P-901410367 | 98 | As is | 5 g |
| P-870652626 | N/A | As is | in stock |
| P-505495934 | 95 | As is | in stock |
| P-596583412 | 97 | As is | 250 mg |
| P-852522526 | 95 | As is | by synthesis |
| P-854712660 | 95 | As is | in stock |
| P-896628188 | 95 | As is | by synthesis |
| P-584620892 | 95 | As is | in stock |
| P-608269601 | 98 | As is | in stock |
| P-1263957496 | 90 | As is | in stock |
| P-885533790 | 95 | As is | by synthesis |
| P-579711626 | 98 | As is | in stock |
| P-869162277 | 95 | As is | 1.001 g |
| P-892297383 | 95 | As is | 1.001 g |
| P-888657653 | 95 | As is | 1.001 g |
| P-611481645 | 90 | As is | in stock |
| P-480980886 | 97 | As is | in stock |
| P-886512435 | 95 | Main component | in stock |
| P-889897613 | 95 | Main component | by synthesis |
| P-1264454530 | 95 | Main component | 2.5 g |
| P-889499410 | 95 | Main component | by synthesis |
| P-500414576 | 95 | Main component | by synthesis |
| P-901414254 | 95 | Main component | in stock |
| P-895201954 | 95 | Main component | by synthesis |
| P-500385571 | 99 | Main component | by synthesis |
| P-869126045 | 95 | Main component | unavailable |
| P-888639499 | 95 | Main component | unavailable |
| P-893742090 | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 541.453 |
| logP | 6.3776 |
| H-bond acceptors | 5 |
| H-bond donors | 0 |
| Rotatable bonds | 8 |
| PSA | 34.17 |
| RO5 violations | 2 |
| RO3 violations | 4 |
| Refractivity | 149.247 |
| Atoms | 68 |
| Rings | 4 |
| Heavy atoms | 36 |
| Hydrogen atoms | 32 |
| Heteroatoms | 9 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 4 |
| 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 |

