Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1364121707-0
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 | 129 USD | 90 | 8 working days | Get Quote |
| 5 mg | 257 USD | 95 | 25 working days | Get Quote |
| 10 mg | 257 USD | 95 | 25 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-1364121707-0.sdf |
| SMILES | MCULE-1364121707-0.smiles |
| Standard InChI | MCULE-1364121707-0.inchi |
| InChIKey | MCULE-1364121707-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867638601 | 95 | As is | in stock |
| P-875804013 | 95 | As is | in stock |
| P-615717811 | 95 | As is | by resynthesis (? - ? days) |
| P-893385666 | 90 | As is | by synthesis |
| P-866097820 | 95 | As is | 23 g |
| P-851615905 | N/A | As is | by synthesis |
| P-489190410 | 97 | As is | in stock |
| P-494375141 | 95 | As is | by resynthesis (? - ? days) |
| P-864114461 | 95 | As is | in stock |
| P-590852833 | 95 | As is | by synthesis |
| P-861478257 | 95 | As is | by synthesis |
| P-580337954 | 95 | As is | by resynthesis (? - ? days) |
| P-675214584 | 95 | As is | in stock |
| P-502917784 | 90 | As is | in stock |
| P-563558008 | 95 | As is | 250 mg |
| P-580461283 | N/A | As is | by synthesis |
| P-1272575640 | 95 | As is | 50 g |
| P-852427053 | 95 | As is | by synthesis |
| P-854908697 | 95 | As is | by synthesis |
| P-23349252 | 90 | As is | in stock |
| P-502384212 | 90 | As is | in stock |
| P-1272900583 | 94 | As is | by resynthesis (? - ? days) |
| P-596714472 | 90 | As is | 20 mg |
| P-855226232 | 90 | As is | in stock |
| P-666996110 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 261.272 |
| logP | 0.7151 |
| H-bond acceptors | 5 |
| H-bond donors | 0 |
| Rotatable bonds | 5 |
| PSA | 63.68 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 71.439 |
| Atoms | 34 |
| Rings | 2 |
| Heavy atoms | 19 |
| Hydrogen atoms | 15 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
