Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8270277136-0
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 | 47 USD | 95 | 22 working days | Get Quote |
| 5 mg | 125 USD | 95 | 14 working days | Get Quote |
| 10 mg | 177 USD | 95 | 14 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-1256446067-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8270277136-0.sdf |
| SMILES | MCULE-8270277136-0.smiles |
| Standard InChI | MCULE-8270277136-0.inchi |
| InChIKey | MCULE-8270277136-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867620737 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875783009 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869340379 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-895098395 | Angene | Building Blocks in stock | 98 | As is | 50 mg |
| P-889521021 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-887187913 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-873245860 | Key Organics | Building Blocks | 97 | As is | 5 mg |
| P-854717719 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-584619551 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-869119288 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-888634221 | TargetMol | Screening Compounds - stock amount | 95 | As is | 9 mg |
| P-855066142 | Toronto Research | In stock | 90 | As is | in stock |
| P-869420239 | AstaTech | Backordered BBs | 95 | Main component | by synthesis |
| P-868543839 | Axon Medchem | Axon predominantly SC catalog | 99 | Main component | in stock |
| P-580433254 | Debye Scientific | General Catalog | 95 | Main component | by resynthesis (? - ? days) |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 388.846 |
| logP | 3.4835 |
| H-bond acceptors | 7 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 89.18 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 112.6201 |
| Atoms | 48 |
| Rings | 4 |
| Heavy atoms | 27 |
| Hydrogen atoms | 21 |
| Heteroatoms | 8 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
