Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7852563562
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 | 19 USD | 98 | 16 working days | Get Quote |
| 5 mg | 19 USD | 98 | 16 working days | Get Quote |
| 10 mg | 19 USD | 98 | 16 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-7852563562.sdf |
| SMILES | MCULE-7852563562.smiles |
| Standard InChI | MCULE-7852563562.inchi |
| InChIKey | MCULE-7852563562.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867629019 | N/A | As is | in stock |
| P-875792951 | N/A | As is | in stock |
| P-869336972 | 95 | As is | by resynthesis (? - ? days) |
| P-893448667 | 90 | As is | 142 mg |
| P-851605125 | N/A | As is | by synthesis |
| P-895099946 | N/A | As is | 25 mg |
| P-1273269795 | 95 | As is | by resynthesis (? - ? days) |
| P-889498302 | 95 | As is | by synthesis |
| P-590933647 | 98 | As is | by synthesis |
| P-873243781 | 97 | As is | 50 mg |
| P-35179685 | 90 | As is | in stock |
| P-854712224 | 95 | As is | in stock |
| P-584625867 | 95 | As is | in stock |
| P-608275016 | 98 | As is | in stock |
| P-892286268 | 95 | As is | unavailable |
| P-869107663 | 95 | As is | 33 mg |
| P-888626698 | 95 | As is | 43 mg |
| P-33258212 | 90 | As is | in stock |
| P-868532366 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 314.472 |
| logP | 3.8133 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 63.87 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 102.013 |
| Atoms | 39 |
| Rings | 3 |
| Heavy atoms | 21 |
| Hydrogen atoms | 18 |
| Heteroatoms | 4 |
| N/O atoms | 2 |
| 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 |
