MCULE-4398278647
- 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 | 17 USD | 98 | 20 working days | Get Quote |
| 5 mg | 17 USD | 98 | 20 working days | Get Quote |
| 10 mg | 17 USD | 98 | 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-4398278647.sdf |
| SMILES | MCULE-4398278647.smiles |
| Standard InChI | MCULE-4398278647.inchi |
| InChIKey | MCULE-4398278647.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867582522 | 98 | As is | in stock |
| P-875741367 | N/A | As is | in stock |
| P-579760413 | 99 | As is | in stock |
| P-903071976 | 98 | As is | 50 g |
| P-606911487 | N/A | As is | in stock |
| P-489239743 | 97 | As is | in stock |
| P-596983795 | 98 | As is | 30 g |
| P-864174515 | 95 | As is | in stock |
| P-892413308 | 98 | As is | 5.25 g |
| P-901466911 | 95 | As is | by synthesis |
| P-851305428 | 95 | As is | by synthesis |
| P-868615114 | 95 | As is | in stock |
| P-862024329 | 95 | As is | 2 g |
| P-870658108 | N/A | As is | in stock |
| P-505549578 | 95 | As is | in stock |
| P-596565925 | 97 | As is | 1000 mg |
| P-608078829 | 95 | As is | 25 g |
| P-31177493 | 90 | As is | unavailable |
| P-856045084 | 90 | As is | unavailable |
| P-865617255 | 95 | As is | by synthesis |
| P-502333171 | 90 | As is | in stock |
| P-22520714 | 90 | As is | 988 mg |
| P-906770454 | 98 | As is | by synthesis |
| P-575326970 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 194.231 |
| logP | 3.0914 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 0 |
| PSA | 25.78 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 62.01 |
| Atoms | 25 |
| Rings | 3 |
| Heavy atoms | 15 |
| Hydrogen atoms | 10 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |

