MCULE-4806172404
- 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 | 22 USD | 95 | 20 working days | Get Quote |
| 10 mg | 22 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-4806172404.sdf |
| SMILES | MCULE-4806172404.smiles |
| Standard InChI | MCULE-4806172404.inchi |
| InChIKey | MCULE-4806172404.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867639708 | 98 | As is | in stock |
| P-875805310 | N/A | As is | in stock |
| P-890252512 | 95 | As is | by synthesis |
| P-590374680 | 95 | As is | in stock |
| P-903162439 | 95 | As is | 10 g |
| P-893542714 | 90 | As is | 19.606 g |
| P-870663965 | N/A | As is | in stock |
| P-489181117 | 97 | As is | in stock |
| P-873295718 | 95 | As is | 10 g |
| P-864089643 | 95 | As is | in stock |
| P-870565548 | 95 | As is | 6 g |
| P-868640608 | 98 | As is | in stock |
| P-580429472 | 95 | As is | by resynthesis (? - ? days) |
| P-861927751 | 95 | As is | 8.113 g |
| P-488545604 | 90 | As is | in stock |
| P-12775912 | 95 | As is | 300 mg |
| P-588255739 | N/A | As is | by synthesis |
| P-852599139 | N/A | As is | in stock |
| P-900010467 | 95 | As is | in stock |
| P-454370537 | 92 | As is | in stock |
| P-445320944 | 92 | As is | 300 mg |
| P-885522364 | 95 | As is | by synthesis |
| P-18972788 | 90 | As is | in stock |
| P-906867447 | 95 | As is | by synthesis |
| P-855238274 | 90 | As is | in stock |
| P-3215879 | 90 | As is | 4.367 g |
| P-617341 | 90 | As is | 4.367 g |
| P-480206805 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 307.310 |
| logP | 5.4449 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 14 |
| PSA | 20.23 |
| RO5 violations | 1 |
| RO3 violations | 3 |
| Refractivity | 83.2508 |
| Atoms | 48 |
| Rings | 0 |
| Heavy atoms | 17 |
| Hydrogen atoms | 31 |
| Heteroatoms | 2 |
| N/O atoms | 1 |
| 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 |

