Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4415640396
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 | 19 working days | Get Quote |
| 5 mg | 50 USD | 90 | 19 working days | Get Quote |
| 10 mg | 63 USD | 90 | 19 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-4415640396.sdf |
| SMILES | MCULE-4415640396.smiles |
| Standard InChI | MCULE-4415640396.inchi |
| InChIKey | MCULE-4415640396.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-892873600 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875847874 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869233081 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-851790882 | AmBeed | On request | N/A | As is | by synthesis |
| P-895942495 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-611184677 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
| P-861388936 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-890850500 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-492220153 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-13457603 | InterBioScreen | Screening Compounds | 92 | As is | 249 mg |
| P-854845131 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-12682584 | Otava | In-House Stock Library | 90 | As is | 1 mg |
| P-888845466 | PharmaBlock | On demand | N/A | As is | by synthesis |
| P-424838865 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-33850789 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
| P-502354619 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-855219924 | Toronto Research | In stock | 90 | As is | in stock |
| P-1735221 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 143 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 246.261 |
| logP | 1.3714 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 69.97 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 74.8058 |
| Atoms | 32 |
| Rings | 2 |
| Heavy atoms | 18 |
| Hydrogen atoms | 14 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 |
