MCULE-4521011475-0
- 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 | 23 USD | 98 | 16 working days | Get Quote |
| 5 mg | 36 USD | 98 | 16 working days | Get Quote |
| 10 mg | 52 USD | 98 | 16 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.
-
MCULE-3878650078-0
- Component type: Main
-
MCULE-6538083079-0
- Component type: Main
-
MCULE-7552983042-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4521011475-0.sdf |
| SMILES | MCULE-4521011475-0.smiles |
| Standard InChI | MCULE-4521011475-0.inchi |
| InChIKey | MCULE-4521011475-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-890166554 | N/A | As is | in stock |
| P-894627878 | 95 | As is | in stock |
| P-903211879 | 98 | As is | 500 mg |
| P-610974149 | 90 | As is | 1.811 g |
| P-596981126 | 98 | As is | 500 mg |
| P-872722875 | 98 | As is | in stock |
| P-864156365 | 95 | As is | in stock |
| P-893243299 | 95 | As is | in stock |
| P-861360727 | 95 | As is | by synthesis |
| P-889435532 | 95 | As is | 61 mg |
| P-873243906 | 97 | As is | 10 mg |
| P-563644366 | 95 | As is | 50 mg |
| P-888174029 | 98 | As is | by synthesis |
| P-888862565 | N/A | As is | in stock |
| P-869128192 | 95 | As is | by synthesis |
| P-892291623 | 95 | As is | unavailable |
| P-888641003 | 95 | As is | 50 mg |
| P-906836176 | 98 | As is | by synthesis |
| P-575320862 | 95 | As is | in stock |
| P-867515805 | N/A | As a main component | by synthesis |
| P-867515811 | N/A | As a main component | by synthesis |
| P-872724208 | 98 | As a main component | in stock |
| P-596563197 | 97 | As a main component | 10 mg |
| P-608269735 | 98 | As a main component | in stock |
| P-608269736 | 98 | As a main component | in stock |
| P-885539197 | 95 | As a main component | by synthesis |
| P-893952501 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 320.388 |
| logP | 3.6205 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 72.94 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 97.9616 |
| Atoms | 44 |
| Rings | 4 |
| Heavy atoms | 24 |
| Hydrogen atoms | 20 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |

