Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5906075166
Compound
Show structures
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 | 50 USD | 90 | 21 working days | Get Quote |
| 5 mg | 67 USD | N/A | 17 working days | Get Quote |
| 10 mg | 67 USD | N/A | 17 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-9033307241
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5906075166.sdf |
| SMILES | MCULE-5906075166.smiles |
| Standard InChI | MCULE-5906075166.inchi |
| InChIKey | MCULE-5906075166.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886660440 | 95 | As is | in stock |
| P-889963338 | N/A | As is | by synthesis |
| P-903226020 | 95 | As is | 2.5 g |
| P-851669620 | N/A | As is | by synthesis |
| P-889816512 | 95 | As is | by synthesis |
| P-611060097 | 95 | As is | by synthesis |
| P-675251174 | 95 | As is | by synthesis |
| P-31217376 | 90 | As is | 2 g |
| P-893750478 | 95 | As is | by synthesis |
| P-892863685 | 95 | Main component | in stock |
| P-890157533 | N/A | Main component | in stock |
| P-892790946 | 95 | Main component | in stock |
| P-888308587 | N/A | Main component | in stock |
| P-596422031 | 90 | Main component | 1000 mg |
| P-596515183 | 90 | Main component | 1000 mg |
| P-896039844 | 95 | Main component | by synthesis |
| P-517289458 | 95 | Main component | in stock |
| P-861518049 | 95 | Main component | by synthesis |
| P-890219406 | 90 | Main component | in stock |
| P-590341933 | 90 | Main component | 1000 mg |
| P-492217631 | 95 | Main component | in stock |
| P-855980715 | 95 | Main component | 1000 mg |
| P-31209536 | 90 | Main component | 1000 mg |
| P-852564530 | N/A | Main component | in stock |
| P-854925160 | 95 | Main component | by synthesis |
| P-12275079 | 90 | Main component | 777 mg |
| P-617682535 | 95 | Main component | 777 mg |
| P-519848622 | 90 | Main component | in stock |
| P-502352803 | 90 | Main component | in stock |
| P-23336355 | 94 | Main component | by resynthesis (? - ? days) |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 249.134 |
| logP | 2.8049 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 32.34 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 66.7227 |
| Atoms | 29 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 14 |
| 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 |
