Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8715586718-0
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 | 95 | 14 working days | Get Quote |
| 5 mg | 7 USD | 95 | 14 working days | Get Quote |
| 10 mg | 7 USD | 95 | 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-5093008720-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8715586718-0.sdf |
| SMILES | MCULE-8715586718-0.smiles |
| Standard InChI | MCULE-8715586718-0.inchi |
| InChIKey | MCULE-8715586718-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867649109 | 98 | As is | in stock |
| P-875817648 | N/A | As is | in stock |
| P-590388320 | 95 | As is | in stock |
| P-903180132 | 98 | As is | 75 g |
| P-905487775 | 95 | As is | 10 g |
| P-606893322 | N/A | As is | in stock |
| P-596970643 | 98 | As is | 100 g |
| P-895943790 | 95 | As is | by resynthesis (? - ? days) |
| P-864164449 | 95 | As is | in stock |
| P-890228804 | 98 | As is | by synthesis |
| P-901521746 | 95 | As is | by synthesis |
| P-868566547 | 98 | As is | in stock |
| P-862056535 | 98 | As is | 31 g |
| P-1264356011 | 98 | As is | 31 g |
| P-579454508 | 95 | As is | 25 g |
| P-854724872 | 95 | As is | in stock |
| P-611453863 | 90 | As is | in stock |
| P-615400345 | 95 | As is | in stock |
| P-867557226 | 97 | Main component | in stock |
| P-875716276 | N/A | Main component | in stock |
| P-579761684 | 98 | Main component | in stock |
| P-903044514 | 95 | Main component | 300 g |
| P-893522897 | 90 | Main component | 1.31502 kg |
| P-606883809 | N/A | Main component | in stock |
| P-489220547 | 97 | Main component | in stock |
| P-596943763 | 95 | Main component | 300 g |
| P-589662183 | 95 | Main component | by resynthesis (? - ? days) |
| P-864112351 | 96 | Main component | in stock |
| P-851309394 | 95 | Main component | by synthesis |
| P-868648843 | 97 | Main component | in stock |
| P-1264335445 | 95 | Main component | 16 g |
| P-861948886 | 95 | Main component | 16 g |
| P-524183623 | 97 | Main component | 25 g |
| P-615657564 | 95 | Main component | in stock |
| P-579619863 | 95 | Main component | unavailable |
| P-891668669 | 95 | Main component | by synthesis |
| P-854724906 | 95 | Main component | in stock |
| P-889862335 | 95 | Main component | by synthesis |
| P-19371842 | 90 | Main component | in stock |
| P-596782115 | 97 | Main component | 141 g |
| P-611453862 | 90 | Main component | in stock |
| P-611453889 | 90 | Main component | in stock |
| P-25578294 | 90 | Main component | 246 mg |
| P-615391975 | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 201.691 |
| logP | 2.9976 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 21.26 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 57.2807 |
| Atoms | 29 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 16 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
