Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6533176201
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 | 89 USD | 90 | 17 working days | Get Quote |
| 5 mg | 124 USD | 98 | 11 working days | Get Quote |
| 10 mg | 124 USD | 98 | 11 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.
| Name | File |
|---|---|
| SDF | MCULE-6533176201.sdf |
| SMILES | MCULE-6533176201.smiles |
| Standard InChI | MCULE-6533176201.inchi |
| InChIKey | MCULE-6533176201.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-892870829 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-890165661 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869275241 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-893533082 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 38.5 g |
| P-851759760 | AmBeed | On request | N/A | As is | by synthesis |
| P-619169772 | Angene | Building Blocks in stock | 98 | As is | 2 g |
| P-864184780 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-591069823 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
| P-449458634 | ChemDiv | New Chemistry Library | 90 | As is | 3 mg |
| P-868650348 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-889311510 | FluoroChem | General BB | 98 | As is | in stock |
| P-596578535 | Key Organics | Building Blocks | 97 | As is | 250 mg |
| P-854833367 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-888882932 | PharmaBlock | In stock | N/A | As is | in stock |
| P-870514841 | Synthonix | In-stock Building Blocks | 98 | As is | 7 g |
| P-611478939 | Toronto Research | In stock | 90 | As is | in stock |
| P-615397336 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 256.299 |
| logP | 3.3217 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 64.35 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 75.9186 |
| Atoms | 35 |
| Rings | 2 |
| Heavy atoms | 19 |
| Hydrogen atoms | 16 |
| 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 |
