Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6496394437-0
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 | 37 USD | 97 | 14 working days | Get Quote |
| 5 mg | 37 USD | 97 | 14 working days | Get Quote |
| 10 mg | 37 USD | 97 | 14 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-1846409149-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6496394437-0.sdf |
| SMILES | MCULE-6496394437-0.smiles |
| Standard InChI | MCULE-6496394437-0.inchi |
| InChIKey | MCULE-6496394437-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886676783 | 95 | As is | in stock |
| P-889979454 | 95 | As is | by synthesis |
| P-869287410 | 95 | As is | in stock |
| P-903243764 | 95 | As is | 5 g |
| P-851864430 | N/A | As is | by synthesis |
| P-889807944 | 95 | As is | by synthesis |
| P-611098388 | 95 | As is | by synthesis |
| P-901473025 | 95 | As is | by synthesis |
| P-861389336 | 95 | As is | by synthesis |
| P-851998384 | 1 | As is | in stock |
| P-854847517 | 95 | As is | by synthesis |
| P-906895834 | 95 | As is | by synthesis |
| P-611581043 | 90 | As is | in stock |
| P-893816017 | 95 | As is | by synthesis |
| P-893752303 | 95 | As is | by synthesis |
| P-867638964 | 98 | Main component | in stock |
| P-875804655 | N/A | Main component | in stock |
| P-597015925 | 97 | Main component | in stock |
| P-590396995 | 95 | Main component | in stock |
| P-869228361 | 95 | Main component | in stock |
| P-893490486 | 90 | Main component | 18.8455 kg |
| P-851755619 | N/A | Main component | by synthesis |
| P-868821780 | N/A | Main component | in stock |
| P-489155909 | 97 | Main component | in stock |
| P-489232871 | 97 | Main component | in stock |
| P-579785168 | 95 | Main component | by resynthesis (? - ? days) |
| P-864086262 | 97 | Main component | in stock |
| P-866716760 | 95 | Main component | 1.375 g |
| P-605404143 | 98 | Main component | by synthesis |
| P-905499240 | N/A | Main component | in stock |
| P-868639832 | 98 | Main component | in stock |
| P-905435394 | 98 | Main component | 17 g |
| P-870648216 | 98 | Main component | in stock |
| P-524197425 | 97 | Main component | 5 g |
| P-563433404 | 97 | Main component | 1000 mg |
| P-454404560 | 95 | Main component | 5 g |
| P-615656439 | 95 | Main component | in stock |
| P-608117011 | 95 | Main component | 25 g |
| P-608083947 | 98 | Main component | 5 g |
| P-854808857 | 95 | Main component | by synthesis |
| P-888897692 | N/A | Main component | in stock |
| P-885542046 | 95 | Main component | by synthesis |
| P-906904538 | 98 | Main component | in stock |
| P-906782537 | 95 | Main component | by synthesis |
| P-906893138 | 97 | Main component | by synthesis |
| P-906780059 | 97 | Main component | by synthesis |
| P-855028835 | 90 | Main component | in stock |
| P-855050943 | 90 | Main component | in stock |
| P-893987290 | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 181.659 |
| logP | 2.3368 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 63.32 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 46.9472 |
| Atoms | 27 |
| Rings | 0 |
| Heavy atoms | 11 |
| Hydrogen atoms | 16 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| 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 |
