Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9808802848
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 | 37 USD | 95 | 10 working days | Get Quote |
| 5 mg | 37 USD | 95 | 10 working days | Get Quote |
| 10 mg | 37 USD | 95 | 10 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.
-
1
MCULE-8973571712
- Component type: Main
-
2
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9808802848.sdf |
| SMILES | MCULE-9808802848.smiles |
| Standard InChI | MCULE-9808802848.inchi |
| InChIKey | MCULE-9808802848.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886637901 | A2B Chem | Predominantly Building Block in stock | N/A | Main component | in stock |
| P-890163371 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-615712721 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-851673229 | AmBeed | On request | N/A | Main component | by synthesis |
| P-589653960 | Apollo Scientific | In Stock | 95 | Main component | 14.75 g |
| P-591002924 | BLD pharm | Non-stock building blocks | 95 | Main component | by synthesis |
| P-893621467 | Combi-Blocks | Building Block in stock | 98 | Main component | in stock |
| P-580376604 | Debye Scientific | General Catalog | N/A | Main component | by resynthesis (? - ? days) |
| P-861983422 | FluoroChem | General BB | 97 | Main component | in stock |
| P-454384902 | Key Organics | Building Blocks | 95 | Main component | 104.274 g |
| P-18805650 | Key Organics | Screening Compounds and Fragments | 95 | Main component | 104.273 g |
| P-852414481 | Matrix Scientific | All | N/A | Main component | in stock |
| P-869020561 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| P-502394545 | TimTec | Building Block Collection | 90 | Main component | in stock |
| P-611498879 | Toronto Research | In stock | 90 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 249.094 |
| logP | 2.633 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 72.42 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 60.0186 |
| Atoms | 25 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 10 |
| Heteroatoms | 7 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
