MCULE-4526086558
- 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 | 6 USD | 98 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 USD | 98 | 14 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-4526086558.sdf |
| SMILES | MCULE-4526086558.smiles |
| Standard InChI | MCULE-4526086558.inchi |
| InChIKey | MCULE-4526086558.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867558836 | 98 | As is | in stock |
| P-875718549 | 98 | As is | in stock |
| P-1275163415 | 98 | As is | in stock |
| P-1275182519 | 95 | As is | in stock |
| P-903047362 | 98 | As is | 3 kg |
| P-905486807 | 97 | As is | 100 g |
| P-1270404130 | 98 | As is | in stock |
| P-606899565 | N/A | As is | in stock |
| P-596944465 | 95 | As is | 1.5 kg |
| P-494332433 | 95 | As is | by resynthesis (? - ? days) |
| P-864184342 | 95 | As is | in stock |
| P-584629744 | 98 | As is | 666 g |
| P-893228783 | 95 | As is | in stock |
| P-584591117 | 90 | As is | in stock |
| P-868614419 | 98 | As is | in stock |
| P-580273774 | 95 | As is | by resynthesis (? - ? days) |
| P-905349616 | 95 | As is | 85 g |
| P-862052477 | 95 | As is | 2.88522 kg |
| P-596568814 | 97 | As is | 25 g |
| P-579628781 | 97 | As is | in stock |
| P-31258327 | 90 | As is | unavailable |
| P-874461991 | 95 | As is | by synthesis |
| P-581745099 | N/A | As is | in stock |
| P-852604289 | N/A | As is | by synthesis |
| P-863686570 | 95 | As is | in stock |
| P-500399606 | 98 | As is | by synthesis |
| P-885527539 | 95 | As is | by synthesis |
| P-18919215 | 90 | As is | in stock |
| P-596763745 | 98 | As is | 101.2 g |
| P-22816531 | 90 | As is | in stock |
| P-502352477 | 90 | As is | in stock |
| P-906769495 | 98 | As is | by synthesis |
| P-611366867 | 90 | As is | in stock |
| P-403858 | 90 | As is | 9.023 g |
| P-464678690 | 90 | As is | 9.023 g |
| P-575329860 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 373.914 |
| logP | 2.4139 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 37.3 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 59.2865 |
| Atoms | 15 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 4 |
| Heteroatoms | 4 |
| N/O atoms | 2 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

