Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4553827908-0
Structure
Show compound
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 | 34 USD | 90 | 19 working days | Get Quote |
| 5 mg | 35 USD | 90 | 17 working days | Get Quote |
| 10 mg | 41 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-4553827908-0.sdf |
| SMILES | MCULE-4553827908-0.smiles |
| Standard InChI | MCULE-4553827908-0.inchi |
| InChIKey | MCULE-4553827908-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-852086650 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-890151322 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-615720920 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-34909715 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-851806276 | AmBeed | On request | N/A | As is | by synthesis |
| P-591070556 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
| P-427972766 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 5 mg |
| P-852403846 | Matrix Scientific | All | N/A | As is | in stock |
| P-864025126 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-424838656 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-12932693 | Specs | Screening Compounds | 90 | As is | 254 mg |
| P-502385516 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-888589033 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-611396638 | Toronto Research | In stock | 90 | As is | in stock |
| P-2629963 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 77 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 318.367 |
| logP | 2.517 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 7 |
| PSA | 86.71 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 91.067 |
| Atoms | 45 |
| Rings | 2 |
| Heavy atoms | 23 |
| Hydrogen atoms | 22 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| 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 |
