Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1913973594
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 | 403 USD | N/A | 17 working days | Get Quote |
| 5 mg | 403 USD | N/A | 17 working days | Get Quote |
| 10 mg | 403 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-7335571545
- Component type: Main
-
2
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1913973594.sdf |
| SMILES | MCULE-1913973594.smiles |
| Standard InChI | MCULE-1913973594.inchi |
| InChIKey | MCULE-1913973594.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886610881 | 95 | As is | in stock |
| P-889927037 | N/A | As is | by synthesis |
| P-869333269 | 95 | As is | in stock |
| P-903149194 | 95 | As is | 2.5 g |
| P-851682751 | N/A | As is | by synthesis |
| P-611067294 | 95 | As is | by synthesis |
| P-901520917 | 95 | As is | by synthesis |
| P-895621848 | 95 | As is | by synthesis |
| P-611592042 | 90 | As is | in stock |
| P-893846534 | 95 | As is | by synthesis |
| P-867395616 | N/A | Main component | by synthesis |
| P-853444441 | 95 | Main component | in stock |
| P-851875909 | N/A | Main component | by synthesis |
| P-864235734 | 95 | Main component | by synthesis |
| P-891329650 | 95 | Main component | by synthesis |
| P-891329651 | 95 | Main component | by synthesis |
| P-895265595 | 95 | Main component | by synthesis |
| P-491410920 | 95 | Main component | by synthesis |
| P-904587747 | 95 | Main component as a main component | in stock |
| P-851679401 | N/A | Main component as a main component | by synthesis |
| P-864248045 | 95 | Main component as a main component | by synthesis |
| P-590997725 | 95 | Main component as a main component | by synthesis |
| P-895678784 | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 198.091 |
| logP | 2.6053 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 54.7 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 49.8051 |
| Atoms | 24 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 13 |
| 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 |
