Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5805421386-0
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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 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-5805421386-0.sdf |
| SMILES | MCULE-5805421386-0.smiles |
| Standard InChI | MCULE-5805421386-0.inchi |
| InChIKey | MCULE-5805421386-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886514927 | 95 | As is | in stock |
| P-890137647 | 95 | As is | in stock |
| P-615714227 | 95 | As is | by resynthesis (? - ? days) |
| P-1264457057 | 95 | As is | 2.5 g |
| P-851560581 | N/A | As is | by synthesis |
| P-864217511 | 95 | As is | by synthesis |
| P-901527002 | 95 | As is | by synthesis |
| P-577176028 | 90 | As is | by synthesis |
| P-454761661 | 90 | As is | in stock |
| P-577201921 | 90 | As is | 1 mg |
| P-861485229 | 95 | As is | by synthesis |
| P-34578801 | 90 | As is | by synthesis |
| P-580780577 | 90 | As is | by resynthesis (? - ? days) |
| P-580769651 | 90 | As is | in stock |
| P-1275234406 | 90 | As is | in stock |
| P-575335448 | 95 | As is | in stock |
| P-1273145165 | 95 | As is | 0 mg |
| P-502565272 | 95 | As is | by synthesis |
| P-675513425 | 95 | As is | in stock |
| P-502950765 | 90 | As is | in stock |
| P-488554533 | 90 | As is | in stock |
| P-427872323 | 92 | As is | 300 mg |
| P-454391444 | 95 | As is | 4.531 g |
| P-18798234 | 95 | As is | 4.531 g |
| P-580507198 | N/A | As is | by synthesis |
| P-852413490 | 95 | As is | by synthesis |
| P-895273805 | 95 | As is | by synthesis |
| P-454375089 | 92 | As is | in stock |
| P-864667504 | 92 | As is | 300 mg |
| P-491134240 | 95 | As is | by synthesis |
| P-23882912 | 90 | As is | in stock |
| P-33468380 | 90 | As is | in stock |
| P-502345892 | 90 | As is | in stock |
| P-22739005 | 94 | As is | by resynthesis (? - ? days) |
| P-855304820 | 90 | As is | in stock |
| P-1235770 | 90 | As is | 166 mg |
| P-893730424 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 214.223 |
| logP | 1.91598 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 76.86 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 59.1754 |
| Atoms | 26 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 10 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 |
