Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4508126562
Compound
Show structure
In order to add this molecule to a collection you have to create an account.
Sign up for free
- 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 | 31 USD | 98 | 16 working days | Get Quote |
| 5 mg | 36 USD | 95 | 7 working days | Get Quote |
| 10 mg | 61 USD | 95 | 7 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-4663790321
- Component type: Main
-
1
MCULE-9976402631
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4508126562.sdf |
| SMILES | MCULE-4508126562.smiles |
| Standard InChI | MCULE-4508126562.inchi |
| InChIKey | MCULE-4508126562.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1275211242 | 99 | As is | in stock |
| P-867678373 | N/A | Main component | in stock |
| P-875855620 | 95 | Main component | in stock |
| P-869299931 | 95 | Main component | by resynthesis (? - ? days) |
| P-505401435 | 95 | Main component | by resynthesis (? - ? days) |
| P-903300158 | 98 | Main component | 250 mg |
| P-893589098 | 90 | Main component | 1.152 g |
| P-1270281808 | 98 | Main component | in stock |
| P-851943233 | N/A | Main component | in stock |
| P-865931777 | 98 | Main component | 50 mg |
| P-1273267583 | 95 | Main component | by resynthesis (? - ? days) |
| P-1273297296 | 95 | Main component | by resynthesis (? - ? days) |
| P-864209081 | 95 | Main component | in stock |
| P-896540368 | 98 | Main component | in stock |
| P-901509990 | 95 | Main component | by synthesis |
| P-19977238 | 90 | Main component | in stock |
| P-871212599 | 95 | Main component | by synthesis |
| P-887194876 | 95 | Main component | by synthesis |
| P-34648100 | 90 | Main component | by synthesis |
| P-1273140731 | 98 | Main component | 100 mg |
| P-1273108806 | 95 | Main component | 100 mg |
| P-1275598541 | 95 | Main component | by synthesis |
| P-863724312 | 95 | Main component | in stock |
| P-584621740 | 95 | Main component | in stock |
| P-878645406 | 98 | Main component | in stock |
| P-23933460 | 90 | Main component | in stock |
| P-892291276 | 95 | Main component | unavailable |
| P-869127059 | 95 | Main component | 141 mg |
| P-888640255 | 95 | Main component | 141 mg |
| P-888543030 | 94 | Main component | by resynthesis (? - ? days) |
| P-906847385 | 98 | Main component | by synthesis |
| P-611505809 | 90 | Main component | in stock |
| P-611506093 | 90 | Main component | in stock |
| P-1470698 | 90 | Main component | 225 mg |
| P-1271706679 | 98 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 641.619 |
| logP | 7.4316 |
| H-bond acceptors | 14 |
| H-bond donors | 3 |
| Rotatable bonds | 8 |
| PSA | 172.76 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 159.9177 |
| Atoms | 71 |
| Rings | 5 |
| Heavy atoms | 45 |
| Hydrogen atoms | 26 |
| Heteroatoms | 15 |
| N/O atoms | 11 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| 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 |
