Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8602776642
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 | 5 USD | 97 | 8 working days | Get Quote |
| 5 mg | 5 USD | 97 | 8 working days | Get Quote |
| 10 mg | 5 USD | 97 | 8 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-8602776642.sdf |
| SMILES | MCULE-8602776642.smiles |
| Standard InChI | MCULE-8602776642.inchi |
| InChIKey | MCULE-8602776642.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867640689 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
| P-875807108 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-590368978 | AK Scientific | Building Blocks | 97 | As is | in stock |
| P-893546085 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 85.223 g |
| P-436450432 | Alinda | Building Blocks | 95 | As is | 9 g |
| P-606924446 | AmBeed | In stock | N/A | As is | in stock |
| P-489241774 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596996210 | Angene | Building Blocks in stock | 98 | As is | 25 g |
| P-895920889 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864085410 | AstaTech | In Stock BBs | 97 | As is | in stock |
| P-619601748 | BLD pharm | In-stock building blocks | 97 | As is | 6.25 g |
| P-492254847 | ChemBridge | Building Block Library | 95 | As is | in stock |
| P-619928382 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
| P-868645350 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
| P-580333123 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-861973063 | FluoroChem | General BB | 97 | As is | in stock |
| P-563393009 | Key Organics | Building Blocks | 97 | As is | 5 g |
| P-870639263 | Key Organics | Screening Compounds and Fragments | 97 | As is | 100 mg |
| P-615647260 | LabNetwork | In stock | 95 | As is | in stock |
| P-894988744 | LabNetwork | OTS | N/A | As is | in stock |
| P-852405156 | Matrix Scientific | All | N/A | As is | in stock |
| P-854748471 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-889870583 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-12620206 | Specs | Screening Compounds | 90 | As is | 89 mg |
| P-596759982 | Synthonix | In-stock Building Blocks | 95 | As is | 53.82 g |
| P-873219078 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611396783 | Toronto Research | In stock | 90 | As is | in stock |
| P-893991723 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 210.658 |
| logP | 1.9089 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 33.2 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 58.5595 |
| Atoms | 25 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 11 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
