Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9199114901
Compound
Show structure
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 | 20 USD | 98 | 9 working days | Get Quote |
| 5 mg | 20 USD | 98 | 9 working days | Get Quote |
| 10 mg | 20 USD | 98 | 9 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-2836884320
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9199114901.sdf |
| SMILES | MCULE-9199114901.smiles |
| Standard InChI | MCULE-9199114901.inchi |
| InChIKey | MCULE-9199114901.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886745574 | 95 | As is | in stock |
| P-890037951 | 95 | As is | by synthesis |
| P-1264731880 | 95 | As is | 25 g |
| P-489208094 | 97 | As is | in stock |
| P-580415490 | 95 | As is | by resynthesis (? - ? days) |
| P-1267082900 | 95 | As is | 10 g |
| P-468036673 | 95 | As is | 776 mg |
| P-601054274 | 90 | As is | 776 mg |
| P-580502447 | N/A | As is | by synthesis |
| P-855250581 | 90 | As is | in stock |
| P-893805821 | 95 | As is | by synthesis |
| P-867544806 | 98 | Main component | in stock |
| P-875702085 | 98 | Main component | in stock |
| P-1275201235 | 98 | Main component | in stock |
| P-903026281 | 99 | Main component | 200 g |
| P-905481766 | 97 | Main component | 100 g |
| P-893540377 | 90 | Main component | 200.25 g |
| P-580267313 | 95 | Main component | by synthesis |
| P-596974957 | 97 | Main component | 50 g |
| P-864110815 | 97 | Main component | in stock |
| P-851281924 | 95 | Main component | by synthesis |
| P-868600740 | 98 | Main component | in stock |
| P-580420046 | 95 | Main component | by resynthesis (? - ? days) |
| P-863651709 | N/A | Main component | by synthesis |
| P-852378730 | 99 | Main component | by synthesis |
| P-885549015 | 95 | Main component | by synthesis |
| P-596766532 | 95 | Main component | 90.7 g |
| P-611368308 | 90 | Main component | in stock |
| P-580449128 | 97 | Main component | in stock |
| P-575292822 | 97 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 226.526 |
| logP | 3.9969 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 26.02 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 55.9074 |
| Atoms | 22 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 10 |
| Heteroatoms | 4 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| 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 |
