Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4069540882
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 | 33 USD | 90 | 17 working days | Get Quote |
| 5 mg | 50 USD | 90 | 17 working days | Get Quote |
| 10 mg | 64 USD | 90 | 17 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-4069540882.sdf |
| SMILES | MCULE-4069540882.smiles |
| Standard InChI | MCULE-4069540882.inchi |
| InChIKey | MCULE-4069540882.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-885972786 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-425211012 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-851509128 | AmBeed | On request | N/A | As is | by synthesis |
| P-869991351 | Asinex | General screening catalog | 90 | As is | 1000 mg |
| P-590838520 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
| P-34747306 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
| P-889388899 | FluoroChem | General BB | N/A | As is | in stock |
| P-502671617 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-492229123 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-14177915 | Life Chemicals | Screening Compounds | 90 | As is | 157 mg |
| P-864031897 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-26498519 | Otava | In-House Stock Library | 90 | As is | 98 mg |
| P-18856979 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-12419501 | Specs | Screening Compounds | 90 | As is | 46 mg |
| P-502388625 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-22473789 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 176 mg |
| P-1040745 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 178 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 282.362 |
| logP | 3.82388 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 81.13 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 80.6802 |
| Atoms | 34 |
| Rings | 3 |
| Heavy atoms | 20 |
| Hydrogen atoms | 14 |
| Heteroatoms | 4 |
| 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 |
