MCULE-4566143207
- 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 | 10 USD | 97 | 12 working days | Get Quote |
| 5 mg | 10 USD | 97 | 12 working days | Get Quote |
| 10 mg | 10 USD | 97 | 12 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.
-
1
MCULE-3688085142
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4566143207.sdf |
| SMILES | MCULE-4566143207.smiles |
| Standard InChI | MCULE-4566143207.inchi |
| InChIKey | MCULE-4566143207.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886524449 | 95 | As is | in stock |
| P-901255382 | 95 | As is | in stock |
| P-903025844 | 95 | As is | 5 g |
| P-851876590 | N/A | As is | by synthesis |
| P-591128593 | 95 | As is | by synthesis |
| P-868554664 | 95 | As is | in stock |
| P-893707780 | 95 | As is | by synthesis |
| P-867567952 | 97 | Main component | in stock |
| P-875727632 | 97 | Main component | in stock |
| P-903057247 | 97 | Main component | 100 g |
| P-610957110 | 90 | Main component | 424.9 g |
| P-1270300629 | 98 | Main component | in stock |
| P-870136551 | N/A | Main component | in stock |
| P-596979134 | 97 | Main component | 100 g |
| P-1273445747 | 95 | Main component | by resynthesis (? - ? days) |
| P-864119640 | 95 | Main component | in stock |
| P-869376402 | 98 | Main component | 1.25 g |
| P-851298234 | 95 | Main component | by synthesis |
| P-868641104 | 97 | Main component | in stock |
| P-905346196 | 97 | Main component | 1000 mg |
| P-862030069 | 97 | Main component | 199.57 g |
| P-893289061 | 90 | Main component | in stock |
| P-890203123 | 90 | Main component | 100 mg |
| P-608117910 | 95 | Main component | in stock |
| P-863656413 | 95 | Main component | by synthesis |
| P-1272584815 | N/A | Main component | 2 g |
| P-852458035 | N/A | Main component | by synthesis |
| P-1268710680 | 95 | Main component | in stock |
| P-613806973 | 95 | Main component | in stock |
| P-498647846 | 97 | Main component | 109.3 g |
| P-615650172 | 95 | Main component | unavailable |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 264.791 |
| logP | 3.9218 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 64.35 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 71.8701 |
| Atoms | 42 |
| Rings | 1 |
| Heavy atoms | 17 |
| Hydrogen atoms | 25 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |

