MCULE-3727801004
- 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 | 36 USD | 95 | 15 working days | Get Quote |
| 5 mg | 39 USD | 95 | 11 working days | Get Quote |
| 10 mg | 39 USD | 95 | 11 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.
-
MCULE-5126630501
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3727801004.sdf |
| SMILES | MCULE-3727801004.smiles |
| Standard InChI | MCULE-3727801004.inchi |
| InChIKey | MCULE-3727801004.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-893072495 | N/A | As is | by synthesis |
| P-7180643 | 90 | As is | 25 mg |
| P-577201317 | 90 | As is | 61 mg |
| P-502676373 | 90 | As is | in stock |
| P-13058915 | 95 | As is | 250 mg |
| P-35288106 | 90 | As is | 5 g |
| P-18977960 | 90 | As is | in stock |
| P-33838127 | 90 | As is | in stock |
| P-907227105 | 94 | As is | by resynthesis (? - ? days) |
| P-637338 | 90 | As is | 180 mg |
| P-867572263 | 95 | As a main component | in stock |
| P-875733135 | N/A | As a main component | in stock |
| P-903062994 | 97 | As a main component | 50 g |
| P-893570568 | 90 | As a main component | 50 g |
| P-851839919 | N/A | As a main component | by synthesis |
| P-865908387 | 97 | As a main component | 50 g |
| P-494345054 | 95 | As a main component | 863.09 g |
| P-905466542 | 95 | As a main component | in stock |
| P-591165528 | 95 | As a main component | by synthesis |
| P-868642194 | 95 | As a main component | in stock |
| P-675293033 | 95 | As a main component | by synthesis |
| P-454297678 | 95 | As a main component | 172 mg |
| P-454391666 | 95 | As a main component | 100 g |
| P-852547070 | N/A | As a main component | in stock |
| P-35181877 | 90 | As a main component | 1.741 kg |
| P-854837623 | 95 | As a main component | by synthesis |
| P-675096276 | 90 | As a main component | in stock |
| P-873282483 | N/A | As a main component | in stock |
| P-23118568 | 90 | As a main component | in stock |
| P-906791004 | 95 | As a main component | by synthesis |
| P-855232941 | 90 | As a main component | in stock |
| P-617765888 | 90 | As a main component | 2.47 g |
| P-617712889 | 90 | As a main component | 2.47 g |
| P-872759212 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 246.094 |
| logP | 3.1868 |
| H-bond acceptors | 5 |
| H-bond donors | 5 |
| Rotatable bonds | 4 |
| PSA | 97.78 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 63.2652 |
| Atoms | 24 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 9 |
| Heteroatoms | 7 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 2 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 2 |

