Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6117732016
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 | 97 | 22 working days | Get Quote |
| 5 mg | 20 USD | 97 | 22 working days | Get Quote |
| 10 mg | 20 USD | 97 | 22 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.
| Name | File |
|---|---|
| SDF | MCULE-6117732016.sdf |
| SMILES | MCULE-6117732016.smiles |
| Standard InChI | MCULE-6117732016.inchi |
| InChIKey | MCULE-6117732016.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867554533 | 97 | As is | in stock |
| P-875713067 | 97 | As is | in stock |
| P-590355255 | 95 | As is | by resynthesis (? - ? days) |
| P-903040436 | 97 | As is | 100 g |
| P-893600394 | 90 | As is | in stock |
| P-1270330011 | 95 | As is | in stock |
| P-606882058 | N/A | As is | in stock |
| P-489228031 | 97 | As is | in stock |
| P-596991786 | 95 | As is | 25 g |
| P-864194640 | 95 | As is | in stock |
| P-873437074 | 95 | As is | 33.595 g |
| P-492256837 | 95 | As is | in stock |
| P-4153243 | 90 | As is | 100 mg |
| P-619927923 | 90 | As is | by synthesis |
| P-436452133 | 95 | As is | in stock |
| P-851257248 | 95 | As is | by synthesis |
| P-868633266 | 97 | As is | in stock |
| P-905335282 | 98 | As is | 2.75 g |
| P-492238193 | 95 | As is | in stock |
| P-502939235 | 90 | As is | in stock |
| P-596568065 | 95 | As is | 100 mg |
| P-862530549 | N/A | As is | by synthesis |
| P-852406279 | N/A | As is | by synthesis |
| P-874449207 | 95 | As is | in stock |
| P-888882295 | N/A | As is | in stock |
| P-889870547 | 95 | As is | by synthesis |
| P-33966347 | 90 | As is | in stock |
| P-873219615 | 90 | As is | in stock |
| P-1272896898 | 94 | As is | by resynthesis (? - ? days) |
| P-611570349 | 90 | As is | in stock |
| P-1271691234 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 161.161 |
| logP | 1.25298 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 78.91 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 42.0536 |
| Atoms | 19 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 7 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
