Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7413087759-0
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 | 39 USD | 98 | 14 working days | Get Quote |
| 5 mg | 39 USD | 98 | 14 working days | Get Quote |
| 10 mg | 39 USD | 98 | 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.
| Name | File |
|---|---|
| SDF | MCULE-7413087759-0.sdf |
| SMILES | MCULE-7413087759-0.smiles |
| Standard InChI | MCULE-7413087759-0.inchi |
| InChIKey | MCULE-7413087759-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875693500 | N/A | As is | in stock |
| P-597025526 | 95 | As is | in stock |
| P-595221459 | 95 | As is | in stock |
| P-903014923 | 98 | As is | 75 g |
| P-893515711 | 90 | As is | 250.431 g |
| P-851550933 | N/A | As is | by synthesis |
| P-895939572 | 95 | As is | by resynthesis (? - ? days) |
| P-864106233 | 95 | As is | in stock |
| P-590820118 | 95 | As is | by synthesis |
| P-675006979 | 95 | As is | by synthesis |
| P-851244740 | 95 | As is | by synthesis |
| P-903005081 | 98 | As is | in stock |
| P-580317482 | 95 | As is | by resynthesis (? - ? days) |
| P-889434881 | 97 | As is | 1.01625 kg |
| P-905343008 | 97 | As is | 1.01625 kg |
| P-905359276 | 97 | As is | 1.01625 kg |
| P-862020093 | 97 | As is | 1.01625 kg |
| P-454323311 | 90 | As is | 88 mg |
| P-852503199 | N/A | As is | in stock |
| P-854751372 | 95 | As is | in stock |
| P-888878380 | N/A | As is | in stock |
| P-596739148 | 95 | As is | 328.75 g |
| P-906787917 | 98 | As is | by synthesis |
| P-615448250 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 158.160 |
| logP | 1.59798 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 0 |
| PSA | 78.49 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 45.2131 |
| Atoms | 18 |
| Rings | 2 |
| Heavy atoms | 12 |
| Hydrogen atoms | 6 |
| 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 |
