Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8001042811
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 | 8 USD | 98 | 22 working days | Get Quote |
| 5 mg | 8 USD | 98 | 22 working days | Get Quote |
| 10 mg | 8 USD | 98 | 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.
| Name | File |
|---|---|
| SDF | MCULE-8001042811.sdf |
| SMILES | MCULE-8001042811.smiles |
| Standard InChI | MCULE-8001042811.inchi |
| InChIKey | MCULE-8001042811.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867659736 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875828550 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-597026546 | AEchem | Building blocks | 97 | As is | in stock |
| P-869195049 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-505351078 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-492323615 | Advamacs (TriMen Chemicals) | Predominantly Building Blocks in stock | 95 | As is | in stock |
| P-436461457 | Alinda | Building Blocks | 95 | As is | 10 g |
| P-606948511 | AmBeed | In stock | N/A | As is | in stock |
| P-489113804 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596972089 | Angene | Building Blocks in stock | 98 | As is | 650 g |
| P-864093046 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-580720744 | BLD pharm | In-stock building blocks | 98 | As is | 735 g |
| P-454719203 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-868578363 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-580289957 | Debye Scientific | General Catalog | N/A | As is | by resynthesis (? - ? days) |
| P-862020905 | FluoroChem | General BB | 95 | As is | in stock |
| P-870647299 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
| P-870648664 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
| P-505507176 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-502790389 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-524162631 | Key Organics | Building Blocks | 98 | As is | 100 g |
| P-524163577 | Key Organics | Building Blocks | 98 | As is | 500 g |
| P-524163578 | Key Organics | Building Blocks | 98 | As is | 100 g |
| P-856005725 | Key Organics | Screening Compounds and Fragments | 98 | As is | 100 mg |
| P-856005726 | Key Organics | Screening Compounds and Fragments | 98 | As is | 100 mg |
| P-856005574 | Key Organics | Screening Compounds and Fragments | 98 | As is | 100 mg |
| P-579660241 | LabSeeker, Inc | On demand Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-31189385 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-868120557 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 1.3 g |
| P-19307232 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-896084195 | Specs | Repurposed Compounds | N/A | As is | 104 mg |
| P-892262958 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-892344313 | TargetMol | Screening Compounds - stock amount | 95 | As is | unavailable |
| P-23220485 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-596710488 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 20 mg |
| P-611412189 | Toronto Research | In stock | 90 | As is | in stock |
| P-611512317 | Toronto Research | In stock | 90 | As is | in stock |
| P-893679734 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| P-893988054 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 251.278 |
| logP | 2.7279 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 75.63 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 66.5355 |
| Atoms | 35 |
| Rings | 1 |
| Heavy atoms | 18 |
| Hydrogen atoms | 17 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
