Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3166671663
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 | 30 USD | 98 | 22 working days | Get Quote |
| 5 mg | 50 USD | 98 | 22 working days | Get Quote |
| 10 mg | 82 USD | 98 | 22 working days | Get Quote |
- 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-3065104001
- Component type: Main
-
1
MCULE-3549142744
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3166671663.sdf |
| SMILES | MCULE-3166671663.smiles |
| Standard InChI | MCULE-3166671663.inchi |
| InChIKey | MCULE-3166671663.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875782221 | N/A | As is | in stock |
| P-887183783 | 95 | As is | by synthesis |
| P-579480897 | 95 | As is | in stock |
| P-854721526 | 95 | As is | in stock |
| P-1263153545 | 95 | As is | by synthesis |
| P-867616386 | 98 | Main component | in stock |
| P-875777679 | 98 | Main component | in stock |
| P-907344047 | 90 | Main component | 1.002 g |
| P-1271934627 | 98 | Main component | 60 mg |
| P-864262739 | 97 | Main component | by synthesis |
| P-608495918 | 95 | Main component | in stock |
| P-902978502 | 95 | Main component | in stock |
| P-474023036 | 95 | Main component | in stock |
| P-888169447 | 98 | Main component | by synthesis |
| P-869175011 | 95 | Main component | unavailable |
| P-888664795 | 95 | Main component | unavailable |
| P-1271611469 | 95 | Main component | in stock |
| P-867620011 | N/A | Main component as a main component | in stock |
| P-894643569 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-893605154 | 90 | Main component as a main component | 9.522 g |
| P-895097948 | N/A | Main component as a main component | 500 mg |
| P-1273268830 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-889497765 | 95 | Main component as a main component | by synthesis |
| P-901479927 | 95 | Main component as a main component | by synthesis |
| P-873251539 | 97 | Main component as a main component | 5 mg |
| P-888169834 | 98 | Main component as a main component | by synthesis |
| P-892287414 | 95 | Main component as a main component | unavailable |
| P-869109881 | 95 | Main component as a main component | 237 mg |
| P-888628356 | 95 | Main component as a main component | 237 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 597.656 |
| logP | 3.5384 |
| H-bond acceptors | 10 |
| H-bond donors | 3 |
| Rotatable bonds | 11 |
| PSA | 140.5 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 172.9464 |
| Atoms | 79 |
| Rings | 5 |
| Heavy atoms | 44 |
| Hydrogen atoms | 35 |
| Heteroatoms | 10 |
| N/O atoms | 10 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
