MCULE-4403593303-0
- 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.
-
MCULE-9496001596-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4403593303-0.sdf |
| SMILES | MCULE-4403593303-0.smiles |
| Standard InChI | MCULE-4403593303-0.inchi |
| InChIKey | MCULE-4403593303-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-612865902 | N/A | As is | by synthesis |
| P-613855656 | 95 | As is | in stock |
| P-864224612 | 95 | As is | by synthesis |
| P-855948068 | 95 | As is | 5 g |
| P-854931730 | 95 | As is | by synthesis |
| P-885519649 | 95 | As is | by synthesis |
| P-855107845 | 90 | As is | in stock |
| P-855092276 | 90 | As is | in stock |
| P-886967644 | 95 | As is | by synthesis |
| P-867550208 | 95 | As a main component | in stock |
| P-875707981 | N/A | As a main component | in stock |
| P-892792006 | 95 | As a main component | in stock |
| P-903033534 | 97 | As a main component | 6 g |
| P-893570357 | 90 | As a main component | 153.75 g |
| P-606925644 | N/A | As a main component | in stock |
| P-865905413 | 95 | As a main component | 5 g |
| P-864120681 | 95 | As a main component | in stock |
| P-619927204 | 90 | As a main component | by synthesis |
| P-584599667 | 95 | As a main component | in stock |
| P-617322790 | 90 | As a main component | in stock |
| P-868623480 | 98 | As a main component | in stock |
| P-488547614 | 90 | As a main component | in stock |
| P-24357105 | 95 | As a main component | 241 mg |
| P-563481743 | 95 | As a main component | 1000 mg |
| P-852385416 | N/A | As a main component | in stock |
| P-854830740 | 95 | As a main component | by synthesis |
| P-617664294 | 90 | As a main component | 1.54 g |
| P-454366991 | 92 | As a main component | in stock |
| P-13701857 | 92 | As a main component | 241 mg |
| P-675098948 | 90 | As a main component | in stock |
| P-873281397 | N/A | As a main component | in stock |
| P-873226170 | 90 | As a main component | in stock |
| P-888595709 | 94 | As a main component | by resynthesis (? - ? days) |
| P-611592450 | 90 | As a main component | in stock |
| P-617769092 | 90 | As a main component | 1.008 g |
| P-617714895 | 90 | As a main component | 1.008 g |
| P-868507731 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 162.188 |
| logP | 1.4281 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 46.33 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 49.3434 |
| Atoms | 22 |
| Rings | 2 |
| Heavy atoms | 12 |
| Hydrogen atoms | 10 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |

