Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9443588391-0
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 | 90 USD | 95 | 22 working days | Get Quote |
| 5 mg | 90 USD | 95 | 22 working days | Get Quote |
| 10 mg | 90 USD | 95 | 22 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.
-
MCULE-5477766782-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-9443588391-0.sdf |
| SMILES | MCULE-9443588391-0.smiles |
| Standard InChI | MCULE-9443588391-0.inchi |
| InChIKey | MCULE-9443588391-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-612942629 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-851641277 | AmBeed | On request | N/A | As is | by synthesis |
| P-489224158 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-870024243 | Asinex | General screening catalog | 90 | As is | 1000 mg |
| P-864272908 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-861553090 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-580439376 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-492235635 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-502550787 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-852384114 | Matrix Scientific | All | N/A | As is | in stock |
| P-864073342 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-23338817 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
| P-502390476 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-873212197 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-873081143 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-873064792 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-611572577 | Toronto Research | In stock | 90 | As is | in stock |
| P-886916201 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| P-886615250 | A2B Chem | Predominantly Building Block in stock | 95 | As a main component | in stock |
| P-875799745 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
| P-869335355 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
| P-868641803 | Combi-Blocks | Building Block in stock | 95 | As a main component | in stock |
| P-895317139 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 165.232 |
| logP | 2.4229 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 35.25 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 50.2214 |
| Atoms | 27 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 15 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |
