Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5092199746-0
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 | 37 USD | 95 | 20 working days | Get Quote |
| 5 mg | 87 USD | 95 | 20 working days | Get Quote |
| 10 mg | 129 USD | 95 | 20 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-8745506948-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5092199746-0.sdf |
| SMILES | MCULE-5092199746-0.smiles |
| Standard InChI | MCULE-5092199746-0.inchi |
| InChIKey | MCULE-5092199746-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867678274 | 99 | As is | in stock |
| P-875855539 | N/A | As is | in stock |
| P-874640722 | N/A | As is | in stock |
| P-903299092 | 95 | As is | 100 mg |
| P-1264057822 | 95 | As is | in stock |
| P-904320017 | 90 | As is | 3.024 g |
| P-892509431 | N/A | As is | in stock |
| P-895105660 | 95 | As is | 200 mg |
| P-904963273 | 95 | As is | in stock |
| P-892412464 | 99 | As is | 143 mg |
| P-901477734 | 95 | As is | by synthesis |
| P-888161593 | 95 | As is | by synthesis |
| P-1263259547 | 95 | As is | by synthesis |
| P-873250919 | 97 | As is | 10 mg |
| P-854721043 | 95 | As is | in stock |
| P-871073372 | 95 | As is | in stock |
| P-869108680 | 95 | As is | by synthesis |
| P-904244155 | 95 | As is | unavailable |
| P-888627562 | 95 | As is | 98 mg |
| P-855054860 | 90 | As is | in stock |
| P-893673022 | 95 | As is | by synthesis |
| P-611517903 | 90 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 561.069 |
| logP | 7.8714 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 82.91 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 168.6399 |
| Atoms | 70 |
| Rings | 6 |
| Heavy atoms | 41 |
| Hydrogen atoms | 29 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| 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 |
