Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9127316030
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 | 24 USD | 95 | 8 working days | Get Quote |
| 5 mg | 24 USD | 95 | 8 working days | Get Quote |
| 10 mg | 24 USD | 95 | 8 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-6849669748
- Component type: Main
-
2
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9127316030.sdf |
| SMILES | MCULE-9127316030.smiles |
| Standard InChI | MCULE-9127316030.inchi |
| InChIKey | MCULE-9127316030.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867669635 | 98 | As is | in stock |
| P-901286177 | N/A | As is | in stock |
| P-851787079 | N/A | As is | by synthesis |
| P-611210305 | 97 | As is | by synthesis |
| P-616226745 | 95 | As is | in stock |
| P-4153706 | 90 | As is | 100 mg |
| P-868570044 | 98 | As is | in stock |
| P-855950757 | 95 | As is | 5 g |
| P-860636659 | 95 | Main component | by synthesis |
| P-889915849 | N/A | Main component | by synthesis |
| P-904527449 | 95 | Main component | in stock |
| P-580317029 | 95 | Main component | by resynthesis (? - ? days) |
| P-900314252 | 95 | Main component | by synthesis |
| P-588250356 | N/A | Main component | by synthesis |
| P-852607866 | N/A | Main component | in stock |
| P-864037366 | 95 | Main component | by synthesis |
| P-868812230 | 95 | Main component | by synthesis |
| P-611475250 | 90 | Main component | in stock |
| P-867614919 | 95 | Main component as a main component | in stock |
| P-875775650 | N/A | Main component as a main component | in stock |
| P-590356831 | 95 | Main component as a main component | in stock |
| P-903117262 | 95 | Main component as a main component | 2.25 g |
| P-851941594 | N/A | Main component as a main component | in stock |
| P-865915450 | 95 | Main component as a main component | 2 g |
| P-889581037 | 95 | Main component as a main component | in stock |
| P-666962137 | 95 | Main component as a main component | 1.35 g |
| P-870583951 | 95 | Main component as a main component | in stock |
| P-855961102 | 95 | Main component as a main component | 1000 mg |
| P-852417570 | N/A | Main component as a main component | in stock |
| P-864036412 | 95 | Main component as a main component | by synthesis |
| P-675100855 | 90 | Main component as a main component | in stock |
| P-502385009 | 90 | Main component as a main component | in stock |
| P-611475251 | 90 | Main component as a main component | in stock |
| P-617721874 | 90 | Main component as a main component | 4.938 g |
| P-617782068 | 90 | Main component as a main component | 4.938 g |
| P-872759502 | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 251.150 |
| logP | 3.5235 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 55.12 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 67.1651 |
| Atoms | 31 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 16 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
