Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4346169690
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 | 11 USD | 95 | 20 working days | Get Quote |
| 5 mg | 11 USD | 95 | 20 working days | Get Quote |
| 10 mg | 11 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-4346169690.sdf |
| SMILES | MCULE-4346169690.smiles |
| Standard InChI | MCULE-4346169690.inchi |
| InChIKey | MCULE-4346169690.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867661153 | 98 | As is | in stock |
| P-875829509 | 98 | As is | in stock |
| P-890255493 | 97 | As is | by synthesis |
| P-1275194830 | N/A | As is | in stock |
| P-903204626 | 95 | As is | 50 g |
| P-610975751 | 90 | As is | 369.25 g |
| P-1270337308 | 98 | As is | in stock |
| P-617066546 | 98 | As is | in stock |
| P-606864687 | N/A | As is | in stock |
| P-865926387 | 95 | As is | 50 g |
| P-1273464453 | 95 | As is | by resynthesis (? - ? days) |
| P-864093639 | 97 | As is | in stock |
| P-896633617 | 95 | As is | by synthesis |
| P-868565849 | 98 | As is | in stock |
| P-580421456 | 95 | As is | by resynthesis (? - ? days) |
| P-1273117394 | 98 | As is | 5 g |
| P-862001649 | 98 | As is | 165.25 g |
| P-563441660 | 97 | As is | 5 g |
| P-580466057 | N/A | As is | by synthesis |
| P-1272594602 | 97 | As is | 100 g |
| P-852497245 | 97 | As is | by synthesis |
| P-895222793 | 95 | As is | in stock |
| P-885520156 | 95 | As is | by synthesis |
| P-605214180 | 90 | As is | in stock |
| P-904092969 | 98 | As is | 176.2 g |
| P-33209326 | 90 | As is | in stock |
| P-502328866 | 90 | As is | in stock |
| P-906866218 | 98 | As is | by synthesis |
| P-611391767 | 90 | As is | in stock |
| P-25687244 | 90 | As is | 1.1 g |
| P-1271645584 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 210.655 |
| logP | 2.8463 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 37.3 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 55.1868 |
| Atoms | 25 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 11 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| 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 |
