Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4864228807
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 | 30 USD | 95 | 27 working days | Get Quote |
| 5 mg | 30 USD | 95 | 27 working days | Get Quote |
| 10 mg | 30 USD | 95 | 27 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-4864228807.sdf |
| SMILES | MCULE-4864228807.smiles |
| Standard InChI | MCULE-4864228807.inchi |
| InChIKey | MCULE-4864228807.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-612862707 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
| P-869199775 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-851716932 | AmBeed | On request | N/A | As is | by synthesis |
| P-611184446 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
| P-492269469 | ChemBridge | Building Block Library | 95 | As is | in stock |
| P-868568988 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-580424980 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-502502671 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-855946531 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
| P-864070836 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-18927234 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-611589973 | Toronto Research | In stock | 90 | As is | in stock |
| P-3241670 | VITAS M CHEMICAL LIMITED | Collections of Fragments for Fragment-based Drug Discovery | 90 | As is | 131 mg |
| P-436091 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 131 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 194.183 |
| logP | 1.351 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 63.6 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 49.7073 |
| Atoms | 24 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 10 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
