Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8429227627
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 | 49 USD | 90 | 21 working days | Get Quote |
| 5 mg | 79 USD | 90 | 21 working days | Get Quote |
| 10 mg | 94 USD | 90 | 21 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-8429227627.sdf |
| SMILES | MCULE-8429227627.smiles |
| Standard InChI | MCULE-8429227627.inchi |
| InChIKey | MCULE-8429227627.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886752928 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-890186450 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-874618286 | AK Scientific | Building Blocks | 97 | As is | in stock |
| P-903345077 | Aaron Chemicals LLC | Predominantly Building Block | 98 | As is | 3.3 g |
| P-893580908 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 11.25 g |
| P-886883952 | AmBeed | In stock | N/A | As is | in stock |
| P-873301834 | Angene | Building Blocks in stock | 98 | As is | 200 mg |
| P-895950260 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-889586576 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-890236795 | BLD pharm | In-stock building blocks | 98 | As is | 125 mg |
| P-887190847 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-901404898 | FluoroChem | General BB | N/A | As is | in stock |
| P-502597777 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-492236396 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-31215287 | LaboTest | Screening Collection | 90 | As is | 250 mg |
| P-14177481 | Life Chemicals | Screening Compounds | 90 | As is | 141 mg |
| P-863716010 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-13123055 | Otava | In-House Stock Library | 90 | As is | 31 mg |
| P-873235200 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-886899689 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 409.403 |
| logP | 5.9371 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 58.04 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 109.8087 |
| Atoms | 48 |
| Rings | 4 |
| Heavy atoms | 30 |
| Hydrogen atoms | 18 |
| Heteroatoms | 7 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| 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 |
