Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1062487923
Compound
Show structures
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 | 6 USD | 97 | 22 working days | Get Quote |
| 5 mg | 6 USD | 97 | 22 working days | Get Quote |
| 10 mg | 6 USD | 97 | 22 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 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-5522897343
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1062487923.sdf |
| SMILES | MCULE-1062487923.smiles |
| Standard InChI | MCULE-1062487923.inchi |
| InChIKey | MCULE-1062487923.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867586406 | 97 | As is | in stock |
| P-875745002 | N/A | As is | in stock |
| P-869189059 | 95 | As is | in stock |
| P-579760596 | 98 | As is | in stock |
| P-903075562 | 98 | As is | 1000 g |
| P-606843576 | N/A | As is | in stock |
| P-596954351 | 98 | As is | 3 kg |
| P-872727631 | 98 | As is | in stock |
| P-864092659 | 95 | As is | in stock |
| P-580703132 | 97 | As is | 780 g |
| P-868606721 | 98 | As is | in stock |
| P-580295958 | 95 | As is | by resynthesis (? - ? days) |
| P-862020780 | 95 | As is | 568.19 g |
| P-905343294 | 95 | As is | 2 g |
| P-870648110 | N/A | As is | in stock |
| P-596603197 | 95 | As is | 100 mg |
| P-524186824 | 97 | As is | 500 g |
| P-524161231 | 98 | As is | 100 g |
| P-31194667 | 90 | As is | unavailable |
| P-31258284 | 90 | As is | unavailable |
| P-856040763 | 90 | As is | unavailable |
| P-852462241 | N/A | As is | in stock |
| P-885533892 | 95 | As is | by synthesis |
| P-906767138 | 98 | As is | by synthesis |
| P-906769637 | 98 | As is | by synthesis |
| P-611480695 | 90 | As is | in stock |
| P-617761922 | 90 | As is | 128 mg |
| P-480246058 | 95 | As is | in stock |
| P-893157903 | N/A | Main component | by synthesis |
| P-856057725 | 95 | Main component | by synthesis |
| P-851891868 | N/A | Main component | by synthesis |
| P-591134229 | 95 | Main component | by synthesis |
| P-563533688 | 95 | Main component | 1000 mg |
| P-893278815 | 95 | Main component | by resynthesis (? - ? days) |
| P-861386987 | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 211.642 |
| logP | 0.9422 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 6 |
| PSA | 78.62 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 48.0054 |
| Atoms | 27 |
| Rings | 0 |
| Heavy atoms | 13 |
| Hydrogen atoms | 14 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| 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 |
