MCULE-3513174472
- 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 | 40 USD | 90 | 22 working days | Get Quote |
| 5 mg | 58 USD | 90 | 22 working days | Get Quote |
| 10 mg | 73 USD | 90 | 22 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-3513174472.sdf |
| SMILES | MCULE-3513174472.smiles |
| Standard InChI | MCULE-3513174472.inchi |
| InChIKey | MCULE-3513174472.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867412974 | N/A | As is | by synthesis |
| P-904625136 | 95 | As is | in stock |
| P-881619934 | N/A | As is | by synthesis |
| P-596495966 | 90 | As is | 1000 mg |
| P-596442290 | 90 | As is | 1000 mg |
| P-890227643 | 98 | As is | by synthesis |
| P-454680936 | 90 | As is | in stock |
| P-436441697 | 90 | As is | 4.87 g |
| P-239545 | 90 | As is | 1.427 g |
| P-34701208 | 90 | As is | by synthesis |
| P-580786862 | 90 | As is | by resynthesis (? - ? days) |
| P-488546417 | 90 | As is | in stock |
| P-596588759 | 90 | As is | 5 g |
| P-852384419 | N/A | As is | in stock |
| P-869016057 | 95 | As is | by synthesis |
| P-454366344 | 92 | As is | in stock |
| P-491225182 | 95 | As is | by synthesis |
| P-23968811 | 90 | As is | in stock |
| P-896083723 | N/A | As is | 13 mg |
| P-33443785 | 90 | As is | in stock |
| P-502336421 | 90 | As is | in stock |
| P-903641071 | 94 | As is | by resynthesis (? - ? days) |
| P-611391148 | 90 | As is | in stock |
| P-3229704 | 90 | As is | 1.01 g |
| P-2365792 | 90 | As is | 1.01 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 286.282 |
| logP | 0.3861 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 79.73 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 75.5558 |
| Atoms | 35 |
| Rings | 4 |
| Heavy atoms | 21 |
| Hydrogen atoms | 14 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 4 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

