Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5795502486-0
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 | 35 USD | 90 | 17 working days | Get Quote |
| 5 mg | 35 USD | 90 | 17 working days | Get Quote |
| 10 mg | 41 USD | 90 | 17 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-1066233727-1
- Component type: Main
-
2
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5795502486-0.sdf |
| SMILES | MCULE-5795502486-0.smiles |
| Standard InChI | MCULE-5795502486-0.inchi |
| InChIKey | MCULE-5795502486-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886641398 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-890164429 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-597021367 | AEchem | Building blocks | 98 | As is | in stock |
| P-597018816 | AEchem | Building blocks | 95 | As is | in stock |
| P-617323773 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-584604063 | Alinda | Building Blocks | 95 | As is | in stock |
| P-851472449 | AmBeed | On request | N/A | As is | by synthesis |
| P-596660448 | Apollo Scientific | In Stock | 95 | As is | 6.4 g |
| P-881038272 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-590788174 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-504760380 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 1 mg |
| P-617649951 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-619311414 | ChemDiv | Discovery Chemistry Library | 90 | As is | 8 mg |
| P-861295889 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
| P-580785905 | Crea-Chim | Building Blocks | 90 | As is | by resynthesis (? - ? days) |
| P-862072769 | FluoroChem | General BB | 95 | As is | in stock |
| P-855999964 | Key Organics | Screening Compounds and Fragments | 90 | As is | 100 mg |
| P-852533371 | Matrix Scientific | All | N/A | As is | in stock |
| P-864066360 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-675097856 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-502440582 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-873212864 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-855325836 | Toronto Research | In stock | 90 | As is | in stock |
| P-617769521 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.921 g |
| P-617713126 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.921 g |
| P-893814357 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| P-852180020 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
| P-894627563 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-893404035 | Advanced ChemBlocks Inc (AChemBlock) | On demand | 90 | Main component | by synthesis |
| P-851661506 | AmBeed | On request | N/A | Main component | by synthesis |
| P-596489164 | Asinex | General bb catalog | 90 | Main component | unavailable |
| P-591016485 | BLD pharm | Non-stock building blocks | 97 | Main component | by synthesis |
| P-588254358 | Manchester Organics | Compounds on demand | N/A | Main component | by synthesis |
| P-854885764 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| P-611571126 | Toronto Research | In stock | 90 | Main component | in stock |
| P-892446782 | Asinex | General screening catalog | 90 | Main component as a main component | 76 mg |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 235.150 |
| logP | 3.4652 |
| H-bond acceptors | 2 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 38.05 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 67.2281 |
| Atoms | 30 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 16 |
| Heteroatoms | 4 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
