Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3066356368
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 | 39 USD | 95 | 15 working days | Get Quote |
| 5 mg | 85 USD | 95 | 15 working days | Get Quote |
| 10 mg | 176 USD | N/A | 35 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-9165109308
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3066356368.sdf |
| SMILES | MCULE-3066356368.smiles |
| Standard InChI | MCULE-3066356368.inchi |
| InChIKey | MCULE-3066356368.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-893165815 | N/A | As is | by synthesis |
| P-852158685 | N/A | Main component | by synthesis |
| P-901232798 | N/A | Main component | by synthesis |
| P-874646507 | 97 | Main component | in stock |
| P-903344918 | 97 | Main component | 250 mg |
| P-864153226 | 95 | Main component | in stock |
| P-12875721 | 95 | Main component | 6 mg |
| P-855963681 | 97 | Main component | 1000 mg |
| P-856023881 | 90 | Main component | unavailable |
| P-596837991 | 95 | Main component | by synthesis |
| P-596707445 | 90 | Main component | 1 mg |
| P-588722084 | N/A | Main component | by synthesis |
| P-893949326 | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 302.753 |
| logP | 3.5047 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 44.12 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 85.763 |
| Atoms | 36 |
| Rings | 3 |
| Heavy atoms | 21 |
| Hydrogen atoms | 15 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
