Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2236312539
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 | 20 USD | 98 | 16 working days | Get Quote |
| 5 mg | 31 USD | 98 | 16 working days | Get Quote |
| 10 mg | 52 USD | 98 | 16 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-6021573671
- Component type: Main
-
1
MCULE-5726619687
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2236312539.sdf |
| SMILES | MCULE-2236312539.smiles |
| Standard InChI | MCULE-2236312539.inchi |
| InChIKey | MCULE-2236312539.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-893146639 | N/A | As is | by synthesis |
| P-875724281 | N/A | Main component as a main component | in stock |
| P-595221814 | 95 | Main component as a main component | in stock |
| P-903053451 | 95 | Main component as a main component | 150 mg |
| P-893605778 | 90 | Main component as a main component | 845 mg |
| P-606873801 | N/A | Main component as a main component | in stock |
| P-489206121 | 97 | Main component as a main component | in stock |
| P-619195492 | 95 | Main component as a main component | 150 mg |
| P-896023107 | 95 | Main component as a main component | in stock |
| P-892413996 | 97 | Main component as a main component | 136 mg |
| P-893226327 | 95 | Main component as a main component | in stock |
| P-861488648 | 95 | Main component as a main component | by synthesis |
| P-870661755 | 97 | Main component as a main component | in stock |
| P-563388056 | 95 | Main component as a main component | 250 mg |
| P-854715906 | 95 | Main component as a main component | in stock |
| P-584617141 | 95 | Main component as a main component | in stock |
| P-878646414 | 98 | Main component as a main component | in stock |
| P-869118697 | 95 | Main component as a main component | by synthesis |
| P-892288894 | 95 | Main component as a main component | unavailable |
| P-888633728 | 95 | Main component as a main component | 63 mg |
| P-906876736 | 97 | Main component as a main component | by synthesis |
| P-611447141 | 90 | Main component as a main component | in stock |
| P-893655629 | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 435.963 |
| logP | 5.9993 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 13 |
| PSA | 90.4 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 118.821 |
| Atoms | 67 |
| Rings | 1 |
| Heavy atoms | 28 |
| Hydrogen atoms | 39 |
| Heteroatoms | 7 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
