Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5479024705-0
Structure
Show compound
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 | 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 |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 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-9166257444-0
- Component type: Main
-
1
MCULE-1504889908-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5479024705-0.sdf |
| SMILES | MCULE-5479024705-0.smiles |
| Standard InChI | MCULE-5479024705-0.inchi |
| InChIKey | MCULE-5479024705-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-893139931 | N/A | As is | by synthesis |
| P-875735346 | N/A | As is | in stock |
| P-881661933 | 95 | As is | in stock |
| P-590381721 | 98 | As is | in stock |
| P-903065228 | 98 | As is | 500 g |
| P-891650320 | N/A | As is | by synthesis |
| P-596988045 | 98 | As is | 400 g |
| P-904971734 | 95 | As is | by synthesis |
| P-901869408 | 95 | As is | by synthesis |
| P-868602810 | 98 | As is | in stock |
| P-862023510 | 98 | As is | 400 g |
| P-524187396 | 95 | As is | 25 g |
| P-852463438 | N/A | As is | in stock |
| P-854932764 | 95 | As is | by synthesis |
| P-885548325 | 95 | As is | by synthesis |
| P-906875228 | 98 | As is | by synthesis |
| P-611606891 | 90 | As is | in stock |
| P-480965626 | 95 | As is | in stock |
| P-892871587 | 96 | Main component | in stock |
| P-890166307 | N/A | Main component | in stock |
| P-615720159 | 95 | Main component | in stock |
| P-580246483 | 95 | Main component | by synthesis |
| P-851481533 | N/A | Main component | by synthesis |
| P-489210339 | 97 | Main component | in stock |
| P-864214867 | 95 | Main component | by synthesis |
| P-851253507 | 95 | Main component | by synthesis |
| P-872749534 | 96 | Main component | in stock |
| P-454425304 | 95 | Main component | 10 g |
| P-608120283 | 95 | Main component | 5 g |
| P-852489083 | N/A | Main component | in stock |
| P-895259787 | 95 | Main component | by synthesis |
| P-868495072 | 95 | Main component | in stock |
| P-875699367 | N/A | Main component as a main component | in stock |
| P-505348319 | 97 | Main component as a main component | in stock |
| P-903022306 | 98 | Main component as a main component | 2 kg |
| P-878260394 | N/A | Main component as a main component | in stock |
| P-596981708 | 98 | Main component as a main component | 5 kg |
| P-864188362 | 95 | Main component as a main component | in stock |
| P-901455735 | 95 | Main component as a main component | by synthesis |
| P-887091440 | 97 | Main component as a main component | in stock |
| P-580443548 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-862011729 | 96 | Main component as a main component | 13 g |
| P-505536816 | 95 | Main component as a main component | in stock |
| P-454412190 | 97 | Main component as a main component | 50 g |
| P-579626002 | 95 | Main component as a main component | unavailable |
| P-31256897 | 90 | Main component as a main component | unavailable |
| P-613284454 | 95 | Main component as a main component | by synthesis |
| P-580482994 | 97 | Main component as a main component | by synthesis |
| P-852459751 | N/A | Main component as a main component | in stock |
| P-895718957 | 95 | Main component as a main component | by synthesis |
| P-901572823 | 95 | Main component as a main component | in stock |
| P-621858703 | 90 | Main component as a main component | by synthesis |
| P-500404698 | 98 | Main component as a main component | by synthesis |
| P-575328870 | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 222.222 |
| logP | 2.147 |
| H-bond acceptors | 7 |
| H-bond donors | 5 |
| Rotatable bonds | 0 |
| PSA | 155.25 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 51.4954 |
| Atoms | 24 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 10 |
| Heteroatoms | 8 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
