Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4420545601-0
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 | 10 USD | 98 | 14 working days | Get Quote |
| 5 mg | 10 USD | 98 | 14 working days | Get Quote |
| 10 mg | 10 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-6262207923-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4420545601-0.sdf |
| SMILES | MCULE-4420545601-0.smiles |
| Standard InChI | MCULE-4420545601-0.inchi |
| InChIKey | MCULE-4420545601-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867586498 | 95 | As is | in stock |
| P-875745217 | N/A | As is | in stock |
| P-590381495 | 97 | As is | in stock |
| P-903075476 | 98 | As is | 30 g |
| P-893618041 | 90 | As is | 4.5 g |
| P-596984163 | 98 | As is | 15 g |
| P-889561504 | 95 | As is | in stock |
| P-893234789 | 95 | As is | in stock |
| P-905326666 | 97 | As is | in stock |
| P-870653177 | N/A | As is | in stock |
| P-505491135 | 95 | As is | in stock |
| P-596577529 | 97 | As is | 5 g |
| P-873242199 | 97 | As is | 500 mg |
| P-31249886 | 90 | As is | unavailable |
| P-580501875 | 95 | As is | by synthesis |
| P-854692847 | 95 | As is | in stock |
| P-878645210 | 98 | As is | in stock |
| P-885548687 | 95 | As is | by synthesis |
| P-617403229 | N/A | As is | in stock |
| P-892221521 | 95 | As is | by synthesis |
| P-869175729 | 95 | As is | in stock |
| P-892288468 | 95 | As is | unavailable |
| P-892315653 | 95 | As is | 200 mg |
| P-906784940 | 95 | As is | by synthesis |
| P-615404923 | 95 | As is | in stock |
| P-860606207 | 99 | Main component | by synthesis |
| P-889900954 | N/A | Main component | by synthesis |
| P-903024569 | 99 | Main component | 1000 g |
| P-865904235 | 99 | Main component | 500 g |
| P-889792337 | 95 | Main component | in stock |
| P-893218206 | 95 | Main component | in stock |
| P-675063079 | 90 | Main component | in stock |
| P-608220694 | 98 | Main component | in stock |
| P-505491133 | 95 | Main component | in stock |
| P-889736788 | 95 | Main component | 100 g |
| P-31249885 | 90 | Main component | unavailable |
| P-885548689 | 95 | Main component | by synthesis |
| P-519868369 | 90 | Main component | in stock |
| P-23116345 | 94 | Main component | by resynthesis (? - ? days) |
| P-872758926 | 95 | Main component | in stock |
| P-903293504 | 98 | Main component as a main component | 15 g |
| P-893618238 | 90 | Main component as a main component | 8.867 g |
| P-870652759 | N/A | Main component as a main component | in stock |
| P-870653178 | N/A | Main component as a main component | in stock |
| P-870659387 | 97 | Main component as a main component | in stock |
| P-870660568 | N/A | Main component as a main component | in stock |
| P-505509048 | 95 | Main component as a main component | in stock |
| P-890851804 | 90 | Main component as a main component | in stock |
| P-579660168 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-608079510 | 95 | Main component as a main component | 250 g |
| P-31177183 | 90 | Main component as a main component | 30 mg |
| P-895357347 | 95 | Main component as a main component | by synthesis |
| P-905144264 | 95 | Main component as a main component | in stock |
| P-608276680 | 98 | Main component as a main component | in stock |
| P-881188935 | 90 | Main component as a main component | 50 mg |
| P-500383083 | 98 | Main component as a main component | by synthesis |
| P-873223258 | 90 | Main component as a main component | in stock |
| P-894002265 | 95 | Main component as a main component | in stock |
| P-480859009 | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 205.637 |
| logP | 1.5922 |
| H-bond acceptors | 4 |
| H-bond donors | 4 |
| Rotatable bonds | 2 |
| PSA | 86.71 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 51.0952 |
| Atoms | 25 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 12 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
