Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9132713021
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 | 25 USD | 95 | 14 working days | Get Quote |
| 5 mg | 25 USD | 95 | 14 working days | Get Quote |
| 10 mg | 27 USD | 98 | 16 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-9132713021.sdf |
| SMILES | MCULE-9132713021.smiles |
| Standard InChI | MCULE-9132713021.inchi |
| InChIKey | MCULE-9132713021.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867602368 | A2B Chem | Predominantly Building Block in stock | 99 | As is | in stock |
| P-875760033 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869337355 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-903096225 | Aaron Chemicals LLC | Predominantly Building Block | 99 | As is | 3 g |
| P-893605685 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 3.2 g |
| P-895169087 | AmBeed | In stock | N/A | As is | in stock |
| P-895095626 | Angene | Building Blocks in stock | 99 | As is | 3 g |
| P-901334767 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-901923668 | BLD pharm | In-stock building blocks | 99 | As is | 1.714 g |
| P-900268588 | BOC Sciences | All products | N/A | As is | by resynthesis (? - ? days) |
| P-893221154 | Biosynth | In Stock | 95 | As is | in stock |
| P-448866277 | ChemDiv | Discovery Chemistry Library | 90 | As is | 167 mg |
| P-578534051 | Chemical Intelligence Co Limited | Stock Screening Compounds | 90 | As is | in stock |
| P-887186903 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-855928118 | Key Organics | Building Blocks | 95 | As is | 100 mg |
| P-856013245 | LaboTest | Screening Collection | 90 | As is | 250 mg |
| P-904060351 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
| P-854691607 | MedChemExpress | Natural Products In stock | 95 | As is | in stock |
| P-584614373 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-878645357 | Molnova | Stock | 98 | As is | in stock |
| P-892222023 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-869175779 | TargetMol | Natural Products | 95 | As is | in stock |
| P-892288634 | TargetMol | In Stock BB | 95 | As is | unavailable |
| P-892316101 | TargetMol | Screening Compounds - stock amount | 95 | As is | 152 mg |
| P-33741309 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-611448838 | Toronto Research | In stock | 90 | As is | in stock |
| P-893669937 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 416.548 |
| logP | 4.849 |
| H-bond acceptors | 7 |
| H-bond donors | 4 |
| Rotatable bonds | 20 |
| PSA | 132.13 |
| RO5 violations | 0 |
| RO3 violations | 6 |
| Refractivity | 114.3832 |
| Atoms | 69 |
| Rings | 0 |
| Heavy atoms | 29 |
| Hydrogen atoms | 40 |
| Heteroatoms | 7 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
