Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4724937172
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 | 46 USD | 90 | 24 working days | Get Quote |
| 5 mg | 66 USD | 95 | 20 working days | Get Quote |
| 10 mg | 66 USD | 95 | 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.
| Name | File |
|---|---|
| SDF | MCULE-4724937172.sdf |
| SMILES | MCULE-4724937172.smiles |
| Standard InChI | MCULE-4724937172.inchi |
| InChIKey | MCULE-4724937172.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-901269036 | 95 | As is | in stock |
| P-612940053 | 95 | As is | by resynthesis (? - ? days) |
| P-903137470 | 95 | As is | 2 g |
| P-893600306 | 90 | As is | 44.23 g |
| P-1270404202 | 95 | As is | in stock |
| P-851693270 | N/A | As is | by synthesis |
| P-881102273 | 95 | As is | 2 g |
| P-494350653 | 95 | As is | 250 mg |
| P-596481225 | 90 | As is | 609 mg |
| P-596347767 | 90 | As is | 609 mg |
| P-889791722 | 95 | As is | in stock |
| P-590888104 | 95 | As is | by synthesis |
| P-902556382 | 90 | As is | 5 mg |
| P-454677092 | 90 | As is | in stock |
| P-22005817 | 90 | As is | 13 mg |
| P-703 | 90 | As is | 150 mg |
| P-116807 | 90 | As is | 668 mg |
| P-436465111 | 95 | As is | in stock |
| P-868633453 | 95 | As is | in stock |
| P-34532180 | 90 | As is | by synthesis |
| P-861973478 | 95 | As is | 19.23 g |
| P-579474723 | 90 | As is | 100 mg |
| P-852383562 | N/A | As is | by synthesis |
| P-1272494293 | 95 | As is | in stock |
| P-23839686 | 90 | As is | in stock |
| P-454010971 | 90 | As is | 15 mg |
| P-904100702 | 95 | As is | 12 g |
| P-892270627 | 95 | As is | unavailable |
| P-892348575 | 95 | As is | unavailable |
| P-33482956 | 90 | As is | in stock |
| P-502327615 | 90 | As is | in stock |
| P-903651009 | 94 | As is | by resynthesis (? - ? days) |
| P-875273204 | 90 | As is | 5 mg |
| P-906818634 | 95 | As is | by synthesis |
| P-855225927 | 90 | As is | in stock |
| P-564172 | 90 | As is | 191 mg |
| P-1279151711 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 260.274 |
| logP | 1.3528 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 119.7 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 67.9218 |
| Atoms | 26 |
| Rings | 3 |
| Heavy atoms | 18 |
| Hydrogen atoms | 8 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
