Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4563470246-0
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 | 13 USD | 98 | 14 working days | Get Quote |
| 5 mg | 13 USD | 98 | 14 working days | Get Quote |
| 10 mg | 13 USD | 98 | 14 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.
| Name | File |
|---|---|
| SDF | MCULE-4563470246-0.sdf |
| SMILES | MCULE-4563470246-0.smiles |
| Standard InChI | MCULE-4563470246-0.inchi |
| InChIKey | MCULE-4563470246-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886537169 | 98 | As is | in stock |
| P-890142235 | N/A | As is | in stock |
| P-892790165 | 95 | As is | in stock |
| P-903042170 | 98 | As is | 30 g |
| P-885355001 | N/A | As is | in stock |
| P-868838054 | 98 | As is | 30 g |
| P-889588731 | 95 | As is | in stock |
| P-893228664 | 95 | As is | in stock |
| P-454630188 | 90 | As is | in stock |
| P-449699523 | 90 | As is | 199.995 g |
| P-436468923 | 95 | As is | in stock |
| P-578526954 | 90 | As is | in stock |
| P-901647844 | 98 | As is | in stock |
| P-502511565 | 95 | As is | by synthesis |
| P-492235492 | 95 | As is | in stock |
| P-488554613 | 90 | As is | in stock |
| P-427874733 | 92 | As is | 300 mg |
| P-596597958 | 90 | As is | 5 g |
| P-613284541 | 95 | As is | by synthesis |
| P-852452007 | N/A | As is | in stock |
| P-902988532 | 95 | As is | by synthesis |
| P-1263159326 | 95 | As is | in stock |
| P-454375169 | 92 | As is | in stock |
| P-674666535 | 92 | As is | 300 mg |
| P-885531029 | 95 | As is | by synthesis |
| P-577121740 | 90 | As is | in stock |
| P-869125422 | 95 | As is | by synthesis |
| P-888639012 | 95 | As is | unavailable |
| P-33994643 | 90 | As is | in stock |
| P-873227551 | 90 | As is | in stock |
| P-903966776 | 94 | As is | by resynthesis (? - ? days) |
| P-906807263 | 97 | As is | by synthesis |
| P-611481005 | 90 | As is | in stock |
| P-424740891 | 90 | As is | 1.009 g |
| P-464690668 | 90 | As is | 1.009 g |
| P-886900982 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 235.060 |
| logP | 2.5452 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 35.53 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 53.853 |
| Atoms | 22 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 8 |
| 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 |
