Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7178342109-0
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 | 13 USD | 98 | 11 working days | Get Quote |
| 5 mg | 13 USD | 98 | 11 working days | Get Quote |
| 10 mg | 13 USD | 98 | 11 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-4738091605-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-7178342109-0.sdf |
| SMILES | MCULE-7178342109-0.smiles |
| Standard InChI | MCULE-7178342109-0.inchi |
| InChIKey | MCULE-7178342109-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-869189540 | 95 | As is | in stock |
| P-579760688 | 98 | As is | in stock |
| P-606853100 | N/A | As is | in stock |
| P-489189986 | 97 | As is | in stock |
| P-866729155 | 95 | As is | 75 g |
| P-864131724 | 95 | As is | in stock |
| P-855390791 | 98 | As is | 130 g |
| P-868604780 | 98 | As is | in stock |
| P-34578716 | 90 | As is | by synthesis |
| P-870647968 | N/A | As is | in stock |
| P-870648146 | N/A | As is | in stock |
| P-524184082 | 98 | As is | 100 g |
| P-524167736 | 98 | As is | 100 g |
| P-579616455 | 95 | As is | 500 g |
| P-31252986 | 90 | As is | unavailable |
| P-35248207 | 90 | As is | 4.08 kg |
| P-26431948 | 90 | As is | 50 mg |
| P-675096747 | 90 | As is | in stock |
| P-23188969 | 90 | As is | in stock |
| P-502328964 | 90 | As is | in stock |
| P-906905110 | 98 | As is | in stock |
| P-906768896 | 98 | As is | by synthesis |
| P-906794278 | 98 | As is | by synthesis |
| P-611477963 | 90 | As is | in stock |
| P-617762626 | 90 | As is | 1.979 g |
| P-617714918 | 90 | As is | 1.979 g |
| P-893965415 | 95 | As is | in stock |
| P-872760625 | 95 | As is | in stock |
| P-893020532 | N/A | Main component | by synthesis |
| P-1263095317 | N/A | Main component | by synthesis |
| P-881624494 | N/A | Main component | by synthesis |
| P-907566375 | 95 | Main component | by synthesis |
| P-890232791 | 97 | Main component | by synthesis |
| P-579721456 | N/A | Main component | by resynthesis (? - ? days) |
| P-895887769 | 95 | Main component | by synthesis |
| P-885516877 | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 199.700 |
| logP | 1.7421 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 77.62 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 49.5044 |
| Atoms | 25 |
| Rings | 0 |
| Heavy atoms | 11 |
| Hydrogen atoms | 14 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| 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 |
