Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6575413490-0
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 | 36 USD | 95 | 15 working days | Get Quote |
| 5 mg | 58 USD | 90 | 22 working days | Get Quote |
| 10 mg | 73 USD | 90 | 22 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-6982527308-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6575413490-0.sdf |
| SMILES | MCULE-6575413490-0.smiles |
| Standard InChI | MCULE-6575413490-0.inchi |
| InChIKey | MCULE-6575413490-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886690770 | 95 | As is | in stock |
| P-889992088 | N/A | As is | by synthesis |
| P-869302503 | 95 | As is | in stock |
| P-903258208 | 95 | As is | 2.5 g |
| P-851593819 | N/A | As is | by synthesis |
| P-889810124 | 95 | As is | by synthesis |
| P-611117318 | 95 | As is | by synthesis |
| P-901521827 | 95 | As is | by synthesis |
| P-861395318 | 95 | As is | by synthesis |
| P-488552610 | 90 | As is | in stock |
| P-24445603 | 95 | As is | 300 mg |
| P-854877670 | 95 | As is | by synthesis |
| P-454373009 | 92 | As is | in stock |
| P-855214709 | 90 | As is | in stock |
| P-617725314 | 90 | As is | 1.179 g |
| P-617769837 | 90 | As is | 1.179 g |
| P-893863269 | 95 | As is | by synthesis |
| P-867289524 | N/A | Main component | by synthesis |
| P-894626470 | 95 | Main component | in stock |
| P-903012965 | 95 | Main component | 1000 mg |
| P-590795618 | 95 | Main component | by synthesis |
| P-579721421 | N/A | Main component | by resynthesis (? - ? days) |
| P-580480969 | N/A | Main component | by synthesis |
| P-854883911 | 95 | Main component | by synthesis |
| P-491080637 | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 236.092 |
| logP | 2.7071 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 49.33 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 57.5705 |
| Atoms | 25 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 11 |
| 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 |
