Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3358001776
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 | 7 USD | 95 | 20 working days | Get Quote |
| 5 mg | 7 USD | 95 | 20 working days | Get Quote |
| 10 mg | 7 USD | 95 | 20 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-2129277242
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3358001776.sdf |
| SMILES | MCULE-3358001776.smiles |
| Standard InChI | MCULE-3358001776.inchi |
| InChIKey | MCULE-3358001776.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867552907 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875711090 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869193123 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-590398066 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-893548801 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 125 g |
| P-851949139 | AmBeed | In stock | N/A | As is | in stock |
| P-489117346 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596927026 | Angene | Building Blocks in stock | 95 | As is | 100 g |
| P-494320009 | Apollo Scientific | In Stock | 95 | As is | 810.1 g |
| P-864098329 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-851271604 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868642692 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
| P-580271143 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-901365785 | FluoroChem | In Stock BB | N/A | As is | 10 g |
| P-502529024 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-454303825 | Key Organics | Screening Compounds and Fragments | 90 | As is | 470 mg |
| P-856013182 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-852378996 | Matrix Scientific | All | N/A | As is | in stock |
| P-854754581 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-500391822 | Pi Chemicals | Virtual Compounds | 97 | As is | by synthesis |
| P-889862854 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-502394086 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611575919 | Toronto Research | In stock | 90 | As is | in stock |
| P-575310452 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| P-896589500 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 173.160 |
| logP | 2.447 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 35.25 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 40.7094 |
| Atoms | 21 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 9 |
| Heteroatoms | 4 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
