Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4553355013
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 | 7 USD | 98 | 22 working days | Get Quote |
| 5 mg | 11 USD | 98 | 22 working days | Get Quote |
| 10 mg | 11 USD | 98 | 22 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-6153348827
- Component type: Main
-
2
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4553355013.sdf |
| SMILES | MCULE-4553355013.smiles |
| Standard InChI | MCULE-4553355013.inchi |
| InChIKey | MCULE-4553355013.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892873484 | 10 | Main component | in stock |
| P-875846833 | N/A | Main component | in stock |
| P-853436626 | 98 | Main component | in stock |
| P-903225001 | 98 | Main component | 10 g |
| P-893618282 | 90 | Main component | 947 mg |
| P-606941989 | N/A | Main component | in stock |
| P-865928577 | 98 | Main component | 10 g |
| P-872724233 | 98 | Main component | in stock |
| P-881038545 | 98 | Main component | in stock |
| P-500413741 | 95 | Main component | by synthesis |
| P-901564945 | 95 | Main component | by synthesis |
| P-851266044 | 95 | Main component | by synthesis |
| P-887322617 | 95 | Main component | by synthesis |
| P-505492163 | 95 | Main component | in stock |
| P-855914985 | 97 | Main component | 100 mg |
| P-873390120 | 95 | Main component | 50 g |
| P-580478166 | 95 | Main component | by synthesis |
| P-901017043 | 95 | Main component | in stock |
| P-878647332 | 98 | Main component | in stock |
| P-617403258 | N/A | Main component | in stock |
| P-869127159 | 95 | Main component | by synthesis |
| P-892291363 | 95 | Main component | unavailable |
| P-888640336 | 95 | Main component | 133 mg |
| P-596714910 | 90 | Main component | 200 mg |
| P-868525104 | 95 | Main component | in stock |
| P-867662620 | 98 | Main component as a main component | in stock |
| P-852197857 | N/A | Main component as a main component | by synthesis |
| P-875831659 | N/A | Main component as a main component | in stock |
| P-505348405 | 98 | Main component as a main component | in stock |
| P-505389240 | 99 | Main component as a main component | in stock |
| P-869181661 | 95 | Main component as a main component | in stock |
| P-903207351 | 99 | Main component as a main component | 300 g |
| P-893617795 | 90 | Main component as a main component | 33.896 g |
| P-606869384 | N/A | Main component as a main component | in stock |
| P-851591266 | N/A | Main component as a main component | by synthesis |
| P-489137501 | 97 | Main component as a main component | in stock |
| P-596973170 | 99 | Main component as a main component | 300 g |
| P-864170120 | 95 | Main component as a main component | in stock |
| P-590915753 | 98 | Main component as a main component | by synthesis |
| P-901455624 | 95 | Main component as a main component | by synthesis |
| P-901545507 | 95 | Main component as a main component | by synthesis |
| P-893218987 | 95 | Main component as a main component | in stock |
| P-505575603 | 98 | Main component as a main component | in stock |
| P-851278100 | 95 | Main component as a main component | by synthesis |
| P-580450260 | 99 | Main component as a main component | in stock |
| P-868595351 | 98 | Main component as a main component | in stock |
| P-608218980 | 97 | Main component as a main component | in stock |
| P-505493014 | 95 | Main component as a main component | in stock |
| P-505493015 | 95 | Main component as a main component | in stock |
| P-854062608 | 90 | Main component as a main component | in stock |
| P-524440332 | 97 | Main component as a main component | 437 mg |
| P-608080839 | 98 | Main component as a main component | 250 g |
| P-904063407 | 95 | Main component as a main component | by synthesis |
| P-896627590 | 95 | Main component as a main component | by synthesis |
| P-854720920 | 95 | Main component as a main component | in stock |
| P-584618208 | 95 | Main component as a main component | in stock |
| P-608276970 | 98 | Main component as a main component | in stock |
| P-500372777 | 98 | Main component as a main component | by synthesis |
| P-889872980 | 95 | Main component as a main component | by synthesis |
| P-579710068 | N/A | Main component as a main component | in stock |
| P-579696572 | N/A | Main component as a main component | in stock |
| P-904221960 | 95 | Main component as a main component | by synthesis |
| P-869107581 | 95 | Main component as a main component | by synthesis |
| P-892286193 | 95 | Main component as a main component | unavailable |
| P-904238653 | 95 | Main component as a main component | unavailable |
| P-888626617 | 95 | Main component as a main component | 196 mg |
| P-611482685 | 90 | Main component as a main component | in stock |
| P-855354322 | 90 | Main component as a main component | in stock |
| P-480936119 | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 524.393 |
| logP | 3.9059 |
| H-bond acceptors | 10 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 112.27 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 142.5144 |
| Atoms | 62 |
| Rings | 5 |
| Heavy atoms | 35 |
| Hydrogen atoms | 27 |
| Heteroatoms | 12 |
| N/O atoms | 10 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
