Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-8335140326
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 | 15 USD | 98 | 22 working days | Get Quote |
| 5 mg | 32 USD | 98 | 20 working days | Get Quote |
| 10 mg | 43 USD | 98 | 20 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-3350771632
- Component type: Main
-
1
MCULE-9920754312
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8335140326.sdf |
| SMILES | MCULE-8335140326.smiles |
| Standard InChI | MCULE-8335140326.inchi |
| InChIKey | MCULE-8335140326.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-851730319 | N/A | As is | by synthesis |
| P-867648737 | 98 | Main component | in stock |
| P-875816868 | N/A | Main component | in stock |
| P-590361933 | 98 | Main component | in stock |
| P-606871665 | N/A | Main component | in stock |
| P-596970562 | 98 | Main component | 5 g |
| P-864112641 | 98 | Main component | in stock |
| P-896540396 | 99 | Main component | in stock |
| P-893227550 | 95 | Main component | in stock |
| P-860799579 | 98 | Main component | in stock |
| P-588708711 | 98 | Main component | unavailable |
| P-869157680 | 95 | Main component | by synthesis |
| P-892293755 | 95 | Main component | unavailable |
| P-888653701 | 95 | Main component | 143 mg |
| P-611397434 | 90 | Main component | in stock |
| P-666966579 | 95 | Main component | in stock |
| P-901292771 | N/A | Main component as a main component | in stock |
| P-869210974 | 95 | Main component as a main component | in stock |
| P-895105758 | N/A | Main component as a main component | 50 mg |
| P-889795205 | 95 | Main component as a main component | by synthesis |
| P-901453769 | 95 | Main component as a main component | by synthesis |
| P-892260636 | 95 | Main component as a main component | by synthesis |
| P-892342198 | 95 | Main component as a main component | unavailable |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 647.381 |
| logP | 3.8326 |
| H-bond acceptors | 9 |
| H-bond donors | 5 |
| Rotatable bonds | 7 |
| PSA | 139.2 |
| RO5 violations | 1 |
| RO3 violations | 6 |
| Refractivity | 147.3313 |
| Atoms | 63 |
| Rings | 4 |
| Heavy atoms | 38 |
| Hydrogen atoms | 25 |
| Heteroatoms | 13 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 4 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
