Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6665381271
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 | 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.
-
2
MCULE-2763608867
- Component type: Main
-
1
MCULE-1504889908
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6665381271.sdf |
| SMILES | MCULE-6665381271.smiles |
| Standard InChI | MCULE-6665381271.inchi |
| InChIKey | MCULE-6665381271.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-907566842 | 98 | As is | by synthesis |
| P-887966398 | 98 | As is | in stock |
| P-494343411 | 95 | Main component | by resynthesis (? - ? days) |
| P-851278310 | 95 | Main component | by synthesis |
| P-868578064 | 97 | Main component | in stock |
| P-862014664 | 95 | Main component | 456.6 g |
| P-905334955 | 95 | Main component | 456.6 g |
| P-872716672 | 95 | Main component | 25 g |
| P-852497027 | N/A | Main component | in stock |
| P-896629878 | 95 | Main component | by synthesis |
| P-854692946 | 95 | Main component | in stock |
| P-871067075 | 95 | Main component | in stock |
| P-608275496 | 98 | Main component | in stock |
| P-903074792 | 98 | Main component as a main component | 400 g |
| P-868579737 | 95 | Main component as a main component | in stock |
| P-856079606 | 98 | Main component as a main component | by resynthesis (? - ? days) |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 686.861 |
| logP | 6.633 |
| H-bond acceptors | 10 |
| H-bond donors | 4 |
| Rotatable bonds | 6 |
| PSA | 155.7 |
| RO5 violations | 2 |
| RO3 violations | 6 |
| Refractivity | 200.7072 |
| Atoms | 95 |
| Rings | 8 |
| Heavy atoms | 49 |
| Hydrogen atoms | 46 |
| Heteroatoms | 11 |
| N/O atoms | 10 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 4 |
| 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 |
