Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8329600111
Compound
Show structures
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 | 18 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 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-8329600111.sdf |
| SMILES | MCULE-8329600111.smiles |
| Standard InChI | MCULE-8329600111.inchi |
| InChIKey | MCULE-8329600111.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886537222 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-889904077 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
| P-869373003 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-851706783 | AmBeed | On request | N/A | As is | by synthesis |
| P-889801288 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-590940561 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
| P-901517722 | Biosynth | Synthesis | 95 | As is | by synthesis |
| P-492268524 | ChemBridge | Building Block Library | 95 | As is | in stock |
| P-4958898 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 1 mg |
| P-4182173 | ChemDiv | Discovery Chemistry Library | 90 | As is | 11 mg |
| P-861554943 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-580425188 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-862056122 | FluoroChem | General BB | N/A | As is | in stock |
| P-503062235 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-502659251 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-502809793 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-12897105 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
| P-31183163 | LaboTest | Screening Collection | 90 | As is | 250 mg |
| P-895641783 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-26411074 | Otava | In-House Stock Library | 90 | As is | 50 mg |
| P-13413836 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
| P-18841002 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-519912231 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-2433465 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 131 mg |
| P-893765924 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 285.162 |
| logP | 3.7446 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 76.38 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 66.1464 |
| Atoms | 24 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 9 |
| Heteroatoms | 5 |
| 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 |
