MCULE-6497752875
- 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 | 20 USD | 95 | 15 working days | Get Quote |
| 5 mg | 28 USD | 95 | 12 working days | Get Quote |
| 10 mg | 42 USD | 95 | 12 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-2905221692
- Component type: Main
-
1
MCULE-6124492894
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6497752875.sdf |
| SMILES | MCULE-6497752875.smiles |
| Standard InChI | MCULE-6497752875.inchi |
| InChIKey | MCULE-6497752875.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-902556355 | 90 | As is | 5 mg |
| P-867631168 | 95 | Main component | in stock |
| P-875795228 | 95 | Main component | in stock |
| P-590417879 | 95 | Main component | by resynthesis (? - ? days) |
| P-1264051919 | 99 | Main component | in stock |
| P-893494305 | 90 | Main component | 1.666 g |
| P-1270313387 | 95 | Main component | in stock |
| P-606926174 | N/A | Main component | in stock |
| P-596966452 | 95 | Main component | 250 mg |
| P-1273451315 | 95 | Main component | by resynthesis (? - ? days) |
| P-864150069 | 95 | Main component | in stock |
| P-868545078 | 100 | Main component | in stock |
| P-580711235 | 95 | Main component | 1.395 g |
| P-871222082 | N/A | Main component | by resynthesis (? - ? days) |
| P-851297234 | 95 | Main component | by synthesis |
| P-861277811 | 95 | Main component | in stock |
| P-861367849 | 95 | Main component | by synthesis |
| P-579481291 | 95 | Main component | in stock |
| P-862023655 | 95 | Main component | 1.25 g |
| P-505543499 | 95 | Main component | in stock |
| P-1273109301 | 95 | Main component | 100 mg |
| P-1272587319 | 95 | Main component | 50 mg |
| P-852463624 | 95 | Main component | by synthesis |
| P-854716588 | 95 | Main component | in stock |
| P-474024274 | 95 | Main component | in stock |
| P-608274827 | 98 | Main component | in stock |
| P-26572637 | 90 | Main component | 3 mg |
| P-617403856 | 98 | Main component | in stock |
| P-892293707 | 95 | Main component | unavailable |
| P-869157312 | 95 | Main component | 1.022 g |
| P-888653404 | 95 | Main component | 1.022 g |
| P-906800735 | 95 | Main component | by synthesis |
| P-611459472 | 90 | Main component | in stock |
| P-1271694562 | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 431.351 |
| logP | 5.9396 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 79.69 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 112.1477 |
| Atoms | 45 |
| Rings | 4 |
| Heavy atoms | 26 |
| Hydrogen atoms | 19 |
| Heteroatoms | 7 |
| N/O atoms | 5 |
| 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 |

