Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6420629595
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 | 47 USD | 90 | 8 working days | Get Quote |
| 5 mg | 64 USD | 90 | 30 working days | Get Quote |
| 10 mg | 70 USD | 90 | 30 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-3459138357
- Component type: Main
-
1
MCULE-6124492894
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6420629595.sdf |
| SMILES | MCULE-6420629595.smiles |
| Standard InChI | MCULE-6420629595.inchi |
| InChIKey | MCULE-6420629595.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-617594447 | 90 | As is | 257 mg |
| P-889902347 | 95 | Main component | by synthesis |
| P-612939341 | 95 | Main component | by resynthesis (? - ? days) |
| P-903032612 | 95 | Main component | 10 g |
| P-904313855 | 90 | Main component | 2 g |
| P-851430208 | N/A | Main component | by synthesis |
| P-595590221 | 90 | Main component | 1000 mg |
| P-596521941 | 90 | Main component | 1000 mg |
| P-889475712 | 95 | Main component | by synthesis |
| P-590786782 | 95 | Main component | by synthesis |
| P-4148874 | 90 | Main component | 100 mg |
| P-619934532 | 90 | Main component | by synthesis |
| P-454754912 | 90 | Main component | in stock |
| P-22006162 | 90 | Main component | 32 mg |
| P-130654 | 90 | Main component | 131 mg |
| P-436458175 | 95 | Main component | in stock |
| P-19918190 | 90 | Main component | in stock |
| P-34741408 | 90 | Main component | by synthesis |
| P-580775131 | 90 | Main component | by resynthesis (? - ? days) |
| P-580764616 | 90 | Main component | in stock |
| P-1275234290 | 90 | Main component | in stock |
| P-590338352 | 90 | Main component | 1000 mg |
| P-890215918 | 90 | Main component | in stock |
| P-502529574 | 95 | Main component | by synthesis |
| P-454322530 | 90 | Main component | unavailable |
| P-580494298 | 95 | Main component | by synthesis |
| P-852383409 | N/A | Main component | by synthesis |
| P-854917944 | 95 | Main component | by synthesis |
| P-491070283 | 95 | Main component | by synthesis |
| P-498640222 | 95 | Main component | by synthesis |
| P-33482892 | 90 | Main component | in stock |
| P-502331289 | 90 | Main component | in stock |
| P-22512776 | 90 | Main component | 221 mg |
| P-611570456 | 90 | Main component | in stock |
| P-667019064 | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 242.116 |
| logP | 3.1777 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 43.84 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 60.2454 |
| Atoms | 25 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 12 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| 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 |
