MCULE-2207328919
- 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 | 12 USD | 98 | 20 working days | Get Quote |
| 5 mg | 12 USD | 98 | 20 working days | Get Quote |
| 10 mg | 12 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-2207328919.sdf |
| SMILES | MCULE-2207328919.smiles |
| Standard InChI | MCULE-2207328919.inchi |
| InChIKey | MCULE-2207328919.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867534659 | 98 | As is | in stock |
| P-875689394 | N/A | As is | in stock |
| P-590372161 | 95 | As is | in stock |
| P-903009323 | 98 | As is | 125 g |
| P-893555003 | 90 | As is | 460.044 g |
| P-606863869 | N/A | As is | in stock |
| P-489223111 | 97 | As is | in stock |
| P-619135087 | 98 | As is | 125 g |
| P-589661207 | 95 | As is | by resynthesis (? - ? days) |
| P-596514443 | 90 | As is | 220 mg |
| P-596403636 | 90 | As is | 220 mg |
| P-864085693 | 97 | As is | in stock |
| P-605423847 | 98 | As is | 25 g |
| P-4207225 | 90 | As is | 5 mg |
| P-454718427 | 90 | As is | in stock |
| P-436458488 | 95 | As is | in stock |
| P-19867552 | 90 | As is | in stock |
| P-868647029 | 98 | As is | in stock |
| P-905334107 | 97 | As is | 1000 mg |
| P-861971111 | 97 | As is | 159.652 g |
| P-502484737 | 95 | As is | by synthesis |
| P-503472978 | 90 | As is | by synthesis |
| P-502592418 | 90 | As is | in stock |
| P-492241259 | 95 | As is | in stock |
| P-563394410 | 97 | As is | 5 g |
| P-580497631 | 95 | As is | by synthesis |
| P-852430570 | N/A | As is | in stock |
| P-35245637 | 90 | As is | 3.943 kg |
| P-854737431 | 95 | As is | in stock |
| P-492273795 | 95 | As is | 1.626 g |
| P-12361456 | 90 | As is | 1.626 g |
| P-1263958358 | 90 | As is | in stock |
| P-885531393 | 95 | As is | by synthesis |
| P-18865336 | 90 | As is | in stock |
| P-873278862 | N/A | As is | in stock |
| P-502331242 | 90 | As is | in stock |
| P-22496932 | 90 | As is | 1000 mg |
| P-611511383 | 90 | As is | in stock |
| P-409142 | 90 | As is | 4.601 g |
| P-3244481 | 90 | As is | 4.601 g |
| P-464691689 | 90 | As is | 4.601 g |
| P-893992647 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 193.199 |
| logP | 1.5629 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 66.4 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 52.1405 |
| Atoms | 25 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 11 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |

