Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1384425753-0
Structure
Show compound
In order to add this molecule to a collection you have to create an account.
Sign up for free
- 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 | 7 USD | 98 | 14 working days | Get Quote |
| 5 mg | 7 USD | 98 | 14 working days | Get Quote |
| 10 mg | 7 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.
-
1
MCULE-5034660275-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1384425753-0.sdf |
| SMILES | MCULE-1384425753-0.smiles |
| Standard InChI | MCULE-1384425753-0.inchi |
| InChIKey | MCULE-1384425753-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1270626173 | 95 | As is | by synthesis |
| P-1269191764 | 95 | As is | by synthesis |
| P-867571287 | 98 | Main component | in stock |
| P-875732279 | 98 | Main component | in stock |
| P-597013393 | 98 | Main component | unavailable |
| P-1275174939 | 98 | Main component | in stock |
| P-1275199613 | 98 | Main component | in stock |
| P-1275146109 | 95 | Main component | in stock |
| P-1275146736 | 95 | Main component | in stock |
| P-903061529 | 98 | Main component | 1.4329 kg |
| P-580199934 | 95 | Main component | 5 g |
| P-617060788 | 98 | Main component | in stock |
| P-606849991 | N/A | Main component | in stock |
| P-596949837 | 98 | Main component | 832.9 g |
| P-494350742 | 95 | Main component | 10 g |
| P-864086811 | 97 | Main component | in stock |
| P-580728632 | 98 | Main component | 1.37 kg |
| P-901452641 | 95 | Main component | by synthesis |
| P-878240173 | 97 | Main component | in stock |
| P-579721646 | N/A | Main component | unavailable |
| P-619926972 | 90 | Main component | by synthesis |
| P-436463426 | 95 | Main component | in stock |
| P-872779903 | 95 | Main component | by synthesis |
| P-868583089 | 97 | Main component | in stock |
| P-861963087 | 98 | Main component | 3.65318 kg |
| P-905332862 | 98 | Main component | 345 g |
| P-870653830 | N/A | Main component | in stock |
| P-505497681 | 95 | Main component | in stock |
| P-900955295 | 95 | Main component | in stock |
| P-454390859 | 95 | Main component | 244 mg |
| P-454398900 | 95 | Main component | 156 mg |
| P-454295314 | 95 | Main component | 244 mg |
| P-454312265 | 95 | Main component | 156 mg |
| P-579611206 | 98 | Main component | in stock |
| P-31258758 | 90 | Main component | 1000 mg |
| P-500224095 | 96 | Main component | in stock |
| P-613284418 | 95 | Main component | by synthesis |
| P-885852161 | 97 | Main component | by synthesis |
| P-1272577506 | 95 | Main component | 4 g |
| P-852437293 | 95 | Main component | by synthesis |
| P-888857920 | N/A | Main component | in stock |
| P-856982259 | 95 | Main component | by synthesis |
| P-424892725 | 90 | Main component | in stock |
| P-870519056 | 97 | Main component | 884.6 g |
| P-502364265 | 90 | Main component | in stock |
| P-23188783 | 94 | Main component | by resynthesis (? - ? days) |
| P-906899338 | 97 | Main component | in stock |
| P-611411314 | 90 | Main component | in stock |
| P-3125194 | 90 | Main component | 700 mg |
| P-615648763 | 95 | Main component | unavailable |
| P-580055038 | 97 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 223.696 |
| logP | 1.728 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 49.77 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 59.9128 |
| Atoms | 32 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 18 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
