Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8365270729-0
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 | 77 USD | 95 | 7 working days | Get Quote |
| 5 mg | 112 USD | 95 | 14 working days | Get Quote |
| 10 mg | 112 USD | 95 | 14 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-3303778613-0
- Component type: Main
-
MCULE-4624173315-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-8365270729-0.sdf |
| SMILES | MCULE-8365270729-0.smiles |
| Standard InChI | MCULE-8365270729-0.inchi |
| InChIKey | MCULE-8365270729-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-904495299 | 95 | As is | by resynthesis (? - ? days) |
| P-851428352 | N/A | As is | by synthesis |
| P-590741565 | 95 | As is | by synthesis |
| P-889875182 | 95 | As is | by synthesis |
| P-867630696 | N/A | As a main component | in stock |
| P-875794436 | 98 | As a main component | in stock |
| P-869256214 | 95 | As a main component | by resynthesis (? - ? days) |
| P-903146302 | 95 | As a main component | 500 mg |
| P-893607401 | 90 | As a main component | 2.829 g |
| P-1270359516 | 95 | As a main component | in stock |
| P-606919035 | N/A | As a main component | in stock |
| P-619159072 | 95 | As a main component | 1000 mg |
| P-1273450550 | 95 | As a main component | by resynthesis (? - ? days) |
| P-1273457962 | 95 | As a main component | by resynthesis (? - ? days) |
| P-864109856 | 95 | As a main component | in stock |
| P-606956768 | 95 | As a main component | 1.75 g |
| P-901413640 | 95 | As a main component | in stock |
| P-905265769 | 95 | As a main component | in stock |
| P-901409996 | 95 | As a main component | 500 mg |
| P-560283805 | 90 | As a main component | by synthesis |
| P-854719820 | 95 | As a main component | in stock |
| P-905146383 | 95 | As a main component | by synthesis |
| P-892293931 | 95 | As a main component | unavailable |
| P-869158632 | 95 | As a main component | 82 mg |
| P-888654393 | 95 | As a main component | 82 mg |
| P-906800876 | 95 | As a main component | by synthesis |
| P-611421328 | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 187.283 |
| logP | 1.3232 |
| H-bond acceptors | 4 |
| H-bond donors | 3 |
| Rotatable bonds | 9 |
| PSA | 67.15 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 53.8878 |
| Atoms | 34 |
| Rings | 0 |
| Heavy atoms | 13 |
| Hydrogen atoms | 21 |
| 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 |
