Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3661391462-0
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 | 28 USD | 98 | 15 working days | Get Quote |
| 5 mg | 50 USD | 98 | 16 working days | Get Quote |
| 10 mg | 63 USD | 98 | 16 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-7378954480-0
- Component type: Main
-
1
MCULE-3169739755-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3661391462-0.sdf |
| SMILES | MCULE-3661391462-0.smiles |
| Standard InChI | MCULE-3661391462-0.inchi |
| InChIKey | MCULE-3661391462-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-610895209 | 90 | As is | by synthesis |
| P-903127275 | 99 | Main component | 100 mg |
| P-610959407 | 90 | Main component | 11.617 g |
| P-489213885 | 97 | Main component | in stock |
| P-866724994 | 95 | Main component | unavailable |
| P-580720444 | 98 | Main component | 1.056 g |
| P-881633915 | 98 | Main component | in stock |
| P-851266896 | 95 | Main component | by synthesis |
| P-861491828 | 95 | Main component | by synthesis |
| P-579479676 | 95 | Main component | in stock |
| P-854621070 | 98 | Main component | in stock |
| P-854712409 | 95 | Main component | in stock |
| P-474026234 | 95 | Main component | in stock |
| P-608272041 | 98 | Main component | in stock |
| P-903311701 | 99 | Main component as a main component | 50 mg |
| P-866717730 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-591086909 | 98 | Main component as a main component | by synthesis |
| P-854713123 | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 599.033 |
| logP | 5.2437 |
| H-bond acceptors | 11 |
| H-bond donors | 3 |
| Rotatable bonds | 7 |
| PSA | 160.61 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 151.3053 |
| Atoms | 65 |
| Rings | 5 |
| Heavy atoms | 41 |
| Hydrogen atoms | 24 |
| Heteroatoms | 14 |
| N/O atoms | 11 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
