Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3042673985
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 | 24 working days | Get Quote |
| 5 mg | 25 USD | 95 | 24 working days | Get Quote |
| 10 mg | 25 USD | 95 | 24 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-3042673985.sdf |
| SMILES | MCULE-3042673985.smiles |
| Standard InChI | MCULE-3042673985.inchi |
| InChIKey | MCULE-3042673985.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867581210 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875740245 | AA Blocks | AA Blocks | N/A | As is | in stock |
| P-874601064 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-881618436 | AmBeed | On request | N/A | As is | by synthesis |
| P-489189974 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596952633 | Angene | Building Blocks in stock | 96 | As is | 250 g |
| P-494342026 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864141996 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-590811203 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-868613311 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
| P-580302908 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-889360663 | FluoroChem | General BB | N/A | As is | in stock |
| P-563447988 | Key Organics | Building Blocks | 95 | As is | 961 mg |
| P-855993928 | Key Organics | Screening Compounds and Fragments | 95 | As is | 961 mg |
| P-31257376 | LaboTest | Screening Collection | 90 | As is | 500 mg |
| P-580479342 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-852602210 | Matrix Scientific | All | N/A | As is | in stock |
| P-854803950 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-500402088 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-888630074 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-869112709 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-502329018 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-33163658 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 988 mg |
| P-611360426 | Toronto Research | In stock | 90 | As is | in stock |
| P-886917461 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 194.226 |
| logP | 2.1379 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 38.69 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 55.555 |
| Atoms | 28 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 14 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |
