MCULE-2874893394-0
- 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 | 7 USD | 98 | 14 working days | Get Quote |
| 5 mg | 7 USD | 98 | 14 working days | Get Quote |
| 10 mg | 7 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-4239265090-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2874893394-0.sdf |
| SMILES | MCULE-2874893394-0.smiles |
| Standard InChI | MCULE-2874893394-0.inchi |
| InChIKey | MCULE-2874893394-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1266124352 | 98 | As is | in stock |
| P-1265853565 | 98 | As is | in stock |
| P-903174268 | 98 | As is | 5 g |
| P-881108676 | 98 | As is | 4 g |
| P-1274822994 | 95 | As is | by resynthesis (? - ? days) |
| P-889849961 | 95 | As is | by synthesis |
| P-901467947 | 95 | As is | by synthesis |
| P-895894908 | 95 | As is | in stock |
| P-474020875 | 95 | As is | in stock |
| P-869108096 | 95 | As is | unavailable |
| P-888627140 | 95 | As is | unavailable |
| P-894005827 | 98 | As is | in stock |
| P-867600938 | 98 | Main component | in stock |
| P-875758205 | 98 | Main component | in stock |
| P-1275156247 | 95 | Main component | in stock |
| P-1275185200 | 98 | Main component | in stock |
| P-1275180694 | 99 | Main component | in stock |
| P-903093298 | 98 | Main component | 68 g |
| P-489139172 | 97 | Main component | in stock |
| P-596959226 | 98 | Main component | 6.75 g |
| P-1273456229 | 95 | Main component | by resynthesis (? - ? days) |
| P-1273460825 | 95 | Main component | by resynthesis (? - ? days) |
| P-864152949 | 98 | Main component | in stock |
| P-900154801 | 95 | Main component | in stock |
| P-868543846 | 99 | Main component | in stock |
| P-901550275 | 95 | Main component | by synthesis |
| P-901550276 | 95 | Main component | by synthesis |
| P-893218681 | 95 | Main component | in stock |
| P-893221599 | 95 | Main component | in stock |
| P-505575925 | 98 | Main component | in stock |
| P-851268116 | 95 | Main component | by synthesis |
| P-500143443 | 95 | Main component | in stock |
| P-580450444 | 99 | Main component | in stock |
| P-861430212 | 98 | Main component | by synthesis |
| P-900266269 | 95 | Main component | in stock |
| P-872607506 | 95 | Main component | in stock |
| P-901407776 | 98 | Main component | 68 g |
| P-608219988 | 98 | Main component | in stock |
| P-505523063 | 95 | Main component | in stock |
| P-488555474 | 92 | Main component | in stock |
| P-488555291 | 90 | Main component | in stock |
| P-500180618 | 96 | Main component | in stock |
| P-873245245 | 97 | Main component | 5 mg |
| P-873245250 | 97 | Main component | 5 mg |
| P-856009044 | 99 | Main component | 235 mg |
| P-579618563 | 98 | Main component | in stock |
| P-854718673 | 95 | Main component | in stock |
| P-896627951 | 95 | Main component | by synthesis |
| P-474020874 | 95 | Main component | in stock |
| P-608276752 | 98 | Main component | in stock |
| P-881191951 | 90 | Main component | 50 mg |
| P-500392353 | 98 | Main component | by synthesis |
| P-519906229 | 90 | Main component | in stock |
| P-579710038 | 98 | Main component | in stock |
| P-869108095 | 95 | Main component | 106 mg |
| P-892286767 | 95 | Main component | 1.806 g |
| P-888627139 | 95 | Main component | 1.806 g |
| P-906777557 | 98 | Main component | by synthesis |
| P-611453246 | 90 | Main component | in stock |
| P-854978498 | 90 | Main component | in stock |
| P-2037229 | 90 | Main component | 119 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 405.941 |
| logP | 4.0779 |
| H-bond acceptors | 7 |
| H-bond donors | 2 |
| Rotatable bonds | 8 |
| PSA | 110.11 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 108.7396 |
| Atoms | 54 |
| Rings | 2 |
| Heavy atoms | 26 |
| Hydrogen atoms | 28 |
| Heteroatoms | 9 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

