Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9681122022
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 | 63 USD | 95 | 22 working days | Get Quote |
| 5 mg | 63 USD | 95 | 22 working days | Get Quote |
| 10 mg | 63 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.
| Name | File |
|---|---|
| SDF | MCULE-9681122022.sdf |
| SMILES | MCULE-9681122022.smiles |
| Standard InChI | MCULE-9681122022.inchi |
| InChIKey | MCULE-9681122022.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886752013 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-874639203 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-893446777 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 50 g |
| P-851953360 | AmBeed | In stock | N/A | As is | in stock |
| P-895928184 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864205863 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-617432349 | BLD pharm | In-stock building blocks | 95 | As is | 1.9 g |
| P-851317773 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-861400321 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-889321473 | FluoroChem | General BB | 97 | As is | in stock |
| P-13479190 | InterBioScreen | Screening Compounds | 92 | As is | 12 mg |
| P-855957672 | Key Organics | Building Blocks | 95 | As is | 100 mg |
| P-854849170 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-888894378 | PharmaBlock | In stock | N/A | As is | in stock |
| P-854669541 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 225.285 |
| logP | 3.3926 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 22.0 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 72.583 |
| Atoms | 32 |
| Rings | 3 |
| Heavy atoms | 17 |
| 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 |
