Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1132429359-0
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 | 63 USD | N/A | 22 working days | Get Quote |
| 5 mg | 71 USD | 98 | 20 working days | Get Quote |
| 10 mg | 71 USD | 98 | 20 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-7076050207-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1132429359-0.sdf |
| SMILES | MCULE-1132429359-0.smiles |
| Standard InChI | MCULE-1132429359-0.inchi |
| InChIKey | MCULE-1132429359-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1266080505 | N/A | As is | in stock |
| P-892878750 | N/A | As is | in stock |
| P-890181905 | N/A | As is | in stock |
| P-869312281 | 95 | As is | by resynthesis (? - ? days) |
| P-903302576 | N/A | As is | 25 mg |
| P-893538344 | 90 | As is | 3.081 g |
| P-899955827 | N/A | As is | by synthesis |
| P-619133876 | 98 | As is | 2 g |
| P-1273269024 | 95 | As is | by resynthesis (? - ? days) |
| P-864200059 | 95 | As is | in stock |
| P-901911321 | 95 | As is | by synthesis |
| P-893219116 | 95 | As is | in stock |
| P-855914209 | 97 | As is | 100 mg |
| P-1268713610 | 95 | As is | by synthesis |
| P-902978347 | 95 | As is | in stock |
| P-855344662 | 90 | As is | in stock |
| P-1271630850 | 100 | As is | in stock |
| P-863672927 | 98 | As is | in stock |
| P-869206793 | 95 | Main component | by resynthesis (? - ? days) |
| P-893230837 | 95 | Main component | in stock |
| P-1272498675 | 95 | Main component | by synthesis |
| P-892265700 | 95 | Main component | unavailable |
| P-892346144 | 95 | Main component | unavailable |
| P-855344660 | 90 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 444.234 |
| logP | 5.4833 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 7 |
| PSA | 79.8 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 103.8309 |
| Atoms | 43 |
| Rings | 3 |
| Heavy atoms | 29 |
| Hydrogen atoms | 14 |
| Heteroatoms | 11 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 5 |
| 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 |
