Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7767946644
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 | 66 USD | 90 | 22 working days | Get Quote |
| 5 mg | 81 USD | 90 | 22 working days | Get Quote |
| 10 mg | 86 USD | N/A | 17 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.
-
MCULE-8324775088
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-7767946644.sdf |
| SMILES | MCULE-7767946644.smiles |
| Standard InChI | MCULE-7767946644.inchi |
| InChIKey | MCULE-7767946644.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1270113210 | 95 | As is | in stock |
| P-1264910979 | 90 | As is | by synthesis |
| P-894645285 | 95 | As is | by resynthesis (? - ? days) |
| P-851531787 | N/A | As is | by synthesis |
| P-590792016 | 95 | As is | by synthesis |
| P-502551319 | 95 | As is | by synthesis |
| P-854908264 | 95 | As is | by synthesis |
| P-1279330651 | 95 | As is | by synthesis |
| P-867616109 | 95 | As a main component | in stock |
| P-1268866389 | 95 | As a main component | by synthesis |
| P-613851372 | 95 | As a main component | by resynthesis (? - ? days) |
| P-851499471 | N/A | As a main component | by synthesis |
| P-889808022 | 95 | As a main component | by synthesis |
| P-590851689 | 95 | As a main component | by synthesis |
| P-901439929 | 95 | As a main component | by synthesis |
| P-872448368 | 90 | As a main component | 100 mg |
| P-855947836 | 95 | As a main component | 1000 mg |
| P-852422362 | N/A | As a main component | by synthesis |
| P-854864499 | 95 | As a main component | by synthesis |
| P-611453419 | 90 | As a main component | in stock |
| P-893664221 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 116.162 |
| logP | 0.5609 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 55.12 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 31.8581 |
| Atoms | 20 |
| Rings | 0 |
| Heavy atoms | 8 |
| Hydrogen atoms | 12 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
