Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-7619122369
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 | 182 USD | 95 | 12 working days | Get Quote |
| 5 mg | 576 USD | 95 | 15 working days | Get Quote |
| 10 mg | 902 USD | 95 | 15 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-7425551734
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-7619122369.sdf |
| SMILES | MCULE-7619122369.smiles |
| Standard InChI | MCULE-7619122369.inchi |
| InChIKey | MCULE-7619122369.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-869155235 | 95 | As is | unavailable |
| P-888652384 | 95 | As is | unavailable |
| P-613847507 | 95 | Main component | by resynthesis (? - ? days) |
| P-881617346 | N/A | Main component | by synthesis |
| P-896030939 | 95 | Main component | in stock |
| P-893232591 | 95 | Main component | in stock |
| P-869159485 | 95 | Main component | unavailable |
| P-888655030 | 95 | Main component | 24 mg |
| P-611448258 | 90 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 501.079 |
| logP | 2.476 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 21 |
| PSA | 111.82 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 136.2929 |
| Atoms | 82 |
| Rings | 0 |
| Heavy atoms | 32 |
| Hydrogen atoms | 50 |
| Heteroatoms | 9 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
