Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7034044686
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 | 43 USD | 95 | 7 working days | Get Quote |
| 5 mg | 103 USD | 95 | 7 working days | Get Quote |
| 10 mg | 155 USD | 95 | 7 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-7034044686.sdf |
| SMILES | MCULE-7034044686.smiles |
| Standard InChI | MCULE-7034044686.inchi |
| InChIKey | MCULE-7034044686.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867692956 | N/A | As is | in stock |
| P-875872442 | N/A | As is | in stock |
| P-874651610 | N/A | As is | by resynthesis (? - ? days) |
| P-893605805 | 90 | As is | 767 mg |
| P-1270377125 | 99 | As is | in stock |
| P-891644877 | N/A | As is | in stock |
| P-895109257 | N/A | As is | 100 mg |
| P-1273256266 | 95 | As is | by resynthesis (? - ? days) |
| P-889795487 | 95 | As is | by synthesis |
| P-892412223 | 99 | As is | 65 mg |
| P-901481196 | 95 | As is | by synthesis |
| P-887190771 | 95 | As is | by synthesis |
| P-873246184 | 97 | As is | 5 mg |
| P-854718968 | 95 | As is | in stock |
| P-905146244 | 95 | As is | by synthesis |
| P-878645724 | 98 | As is | in stock |
| P-892288978 | 95 | As is | unavailable |
| P-869118906 | 95 | As is | 100 mg |
| P-888633906 | 95 | As is | 100 mg |
| P-1271692300 | 99 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 398.473 |
| logP | 3.7723 |
| H-bond acceptors | 6 |
| H-bond donors | 0 |
| Rotatable bonds | 9 |
| PSA | 59.73 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 111.802 |
| Atoms | 56 |
| Rings | 3 |
| Heavy atoms | 29 |
| Hydrogen atoms | 27 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| 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 |
