MCULE-1489653646
- 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 | 15 USD | 95 | 22 working days | Get Quote |
| 5 mg | 28 USD | 95 | 22 working days | Get Quote |
| 10 mg | 36 USD | 95 | 15 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-8888718728
- Component type: Main
-
1
MCULE-1176533515
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1489653646.sdf |
| SMILES | MCULE-1489653646.smiles |
| Standard InChI | MCULE-1489653646.inchi |
| InChIKey | MCULE-1489653646.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867657006 | 95 | As is | in stock |
| P-875825361 | 95 | As is | in stock |
| P-869199844 | 95 | As is | by resynthesis (? - ? days) |
| P-1264057739 | 99 | As is | in stock |
| P-610994103 | 90 | As is | 9.619 g |
| P-1270365134 | 95 | As is | in stock |
| P-606876200 | N/A | As is | in stock |
| P-596971443 | 95 | As is | 25 mg |
| P-866726885 | 95 | As is | 5 mg |
| P-1273267262 | 95 | As is | by resynthesis (? - ? days) |
| P-889568813 | 95 | As is | in stock |
| P-872716930 | 95 | As is | 61 mg |
| P-901428065 | 95 | As is | by synthesis |
| P-579722446 | 95 | As is | 277 mg |
| P-861366450 | 95 | As is | by synthesis |
| P-596584365 | 95 | As is | 1 mg |
| P-1272592832 | 97 | As is | 50 mg |
| P-852490258 | 97 | As is | by synthesis |
| P-854718217 | 95 | As is | in stock |
| P-1273486796 | 95 | As is | by synthesis |
| P-878644115 | 98 | As is | in stock |
| P-904255726 | 95 | As is | unavailable |
| P-869175009 | 95 | As is | 54 mg |
| P-888664793 | 95 | As is | 54 mg |
| P-906797843 | 95 | As is | by synthesis |
| P-1271663212 | 95 | As is | in stock |
| P-867679774 | 99 | Main component | in stock |
| P-875857766 | 99 | Main component | in stock |
| P-869212491 | 95 | Main component | by resynthesis (? - ? days) |
| P-1264054204 | 99 | Main component | in stock |
| P-893559255 | 90 | Main component | 9.408 g |
| P-606927611 | N/A | Main component | in stock |
| P-865932111 | N/A | Main component | 250 mg |
| P-1273262929 | 95 | Main component | by resynthesis (? - ? days) |
| P-905461329 | 95 | Main component | in stock |
| P-590595542 | 99 | Main component | 1000 mg |
| P-901428066 | 95 | Main component | by synthesis |
| P-851315008 | 95 | Main component | by synthesis |
| P-860800280 | 98 | Main component | in stock |
| P-861381017 | 95 | Main component | by synthesis |
| P-855924781 | 97 | Main component | 50 mg |
| P-854711799 | 95 | Main component | in stock |
| P-1273486797 | 95 | Main component | by synthesis |
| P-872678211 | 95 | Main component | in stock |
| P-878642648 | 98 | Main component | in stock |
| P-904255712 | 95 | Main component | unavailable |
| P-869174987 | 95 | Main component | 36 mg |
| P-888664776 | 95 | Main component | 36 mg |
| P-611505768 | 90 | Main component | in stock |
| P-868539686 | 98 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 728.786 |
| logP | 7.7615 |
| H-bond acceptors | 12 |
| H-bond donors | 3 |
| Rotatable bonds | 10 |
| PSA | 170.36 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 195.6258 |
| Atoms | 89 |
| Rings | 6 |
| Heavy atoms | 52 |
| Hydrogen atoms | 37 |
| Heteroatoms | 14 |
| N/O atoms | 12 |
| 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 |

