Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4158405682
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 | 6 USD | 98 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 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-4158405682.sdf |
| SMILES | MCULE-4158405682.smiles |
| Standard InChI | MCULE-4158405682.inchi |
| InChIKey | MCULE-4158405682.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867565319 | 97 | As is | in stock |
| P-875725190 | N/A | As is | in stock |
| P-869182891 | 95 | As is | in stock |
| P-535622579 | 98 | As is | in stock |
| P-903054339 | 98 | As is | 990 g |
| P-866101694 | 95 | As is | 33.1 g |
| P-606904578 | N/A | As is | in stock |
| P-489223325 | 97 | As is | in stock |
| P-596946909 | 97 | As is | 200 g |
| P-895934494 | 95 | As is | by resynthesis (? - ? days) |
| P-494335381 | 95 | As is | by resynthesis (? - ? days) |
| P-864135120 | 95 | As is | in stock |
| P-481171343 | 95 | As is | 10 g |
| P-580699743 | 97 | As is | 68 g |
| P-504665082 | 85 | As is | 5 mg |
| P-608405683 | 90 | As is | in stock |
| P-505587312 | 98 | As is | in stock |
| P-517290139 | 95 | As is | 24 g |
| P-19949819 | 90 | As is | in stock |
| P-851253921 | 95 | As is | by synthesis |
| P-861280104 | 97 | As is | in stock |
| P-868560378 | 98 | As is | in stock |
| P-34456648 | 90 | As is | by synthesis |
| P-905335939 | 97 | As is | 125 g |
| P-861980390 | 97 | As is | 732.564 g |
| P-454316979 | 90 | As is | 0 mg |
| P-579642790 | 95 | As is | by resynthesis (? - ? days) |
| P-580493894 | N/A | As is | by synthesis |
| P-852452059 | N/A | As is | in stock |
| P-854748850 | 95 | As is | in stock |
| P-889867658 | 95 | As is | by synthesis |
| P-23906743 | 90 | As is | in stock |
| P-596780986 | 97 | As is | 782 g |
| P-22856688 | 90 | As is | in stock |
| P-502361855 | 90 | As is | in stock |
| P-888500028 | 94 | As is | by resynthesis (? - ? days) |
| P-611479393 | 90 | As is | in stock |
| P-1342873 | 90 | As is | 1.03 g |
| P-615450755 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 186.590 |
| logP | 1.8322 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 46.53 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 44.7545 |
| Atoms | 19 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 7 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| 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 |
