MCULE-6450705026
- 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 | 30 USD | 95 | 7 working days | Get Quote |
| 5 mg | 73 USD | 95 | 7 working days | Get Quote |
| 10 mg | 92 USD | 99 | 15 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-6450705026.sdf |
| SMILES | MCULE-6450705026.smiles |
| Standard InChI | MCULE-6450705026.inchi |
| InChIKey | MCULE-6450705026.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867553861 | 98 | As is | in stock |
| P-875712593 | N/A | As is | in stock |
| P-869296437 | 95 | As is | in stock |
| P-903039477 | N/A | As is | 5 mg |
| P-893605961 | 90 | As is | 7.127 g |
| P-903000578 | N/A | As is | in stock |
| P-895094087 | 99 | As is | 300 mg |
| P-872725395 | 98 | As is | in stock |
| P-905462996 | 95 | As is | in stock |
| P-902966266 | 99 | As is | 463 mg |
| P-887182421 | 95 | As is | by synthesis |
| P-870660204 | N/A | As is | in stock |
| P-873242876 | 97 | As is | 10 mg |
| P-854717514 | 95 | As is | in stock |
| P-584623091 | 95 | As is | in stock |
| P-878644508 | 98 | As is | in stock |
| P-869120349 | 95 | As is | by synthesis |
| P-892289423 | 95 | As is | unavailable |
| P-888635157 | 95 | As is | 152 mg |
| P-596714144 | 90 | As is | 1 mg |
| P-611347435 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 269.051 |
| logP | 1.4804 |
| H-bond acceptors | 5 |
| H-bond donors | 0 |
| Rotatable bonds | 0 |
| PSA | 57.26 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 54.337 |
| Atoms | 20 |
| Rings | 3 |
| Heavy atoms | 15 |
| Hydrogen atoms | 5 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| 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 |

