Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1616873457-0
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 | 143 USD | 90 | 18 working days | Get Quote |
| 5 mg | 170 USD | 90 | 18 working days | Get Quote |
| 10 mg | 189 USD | 90 | 18 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-3052537779-0
- Component type: Main
-
2
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1616873457-0.sdf |
| SMILES | MCULE-1616873457-0.smiles |
| Standard InChI | MCULE-1616873457-0.inchi |
| InChIKey | MCULE-1616873457-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867424898 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
| P-893470236 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 3.54 g |
| P-851712324 | AmBeed | On request | N/A | As is | by synthesis |
| P-590988031 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-868549010 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-862111952 | FluoroChem | General BB | 95 | As is | in stock |
| P-25840202 | Life Chemicals | Building Blocks | 95 | As is | 3.534 g |
| P-601057679 | Life Chemicals | Screening Compounds | 90 | As is | 3.534 g |
| P-852508447 | Matrix Scientific | All | N/A | As is | in stock |
| P-895261568 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-855252597 | Toronto Research | In stock | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 281.565 |
| logP | 3.6837 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 56.73 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 67.9724 |
| Atoms | 27 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 11 |
| Heteroatoms | 7 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| 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 |
