Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4299412821
Compound
Show structures
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 | 16 USD | 99 | 16 working days | Get Quote |
| 5 mg | 36 USD | 99 | 16 working days | Get Quote |
| 10 mg | 55 USD | 99 | 16 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-4299412821.sdf |
| SMILES | MCULE-4299412821.smiles |
| Standard InChI | MCULE-4299412821.inchi |
| InChIKey | MCULE-4299412821.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867679848 | A2B Chem | Predominantly Building Block in stock | 99 | As is | in stock |
| P-875857315 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869372151 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-610989536 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 9.85 g |
| P-851946465 | AmBeed | In stock | N/A | As is | in stock |
| P-865932110 | Angene | Building Blocks in stock | 97 | As is | 600 mg |
| P-864300940 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-872720229 | BLD pharm | Non-stock building blocks | 99 | As is | by synthesis |
| P-851338801 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-861286093 | Chiralstar | Chiralstar Building Blocks | 98 | As is | in stock |
| P-887189675 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-608497392 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
| P-868079004 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-855923838 | Key Organics | Building Blocks | 97 | As is | 100 mg |
| P-854718644 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-584621708 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-608270555 | Molnova | Stock | 98 | As is | in stock |
| P-589631638 | Selleckchem | Epigenetics | N/A | As is | in stock |
| P-617404378 | Selleckchem | Product Catalog | N/A | As is | in stock |
| P-888656732 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-594274189 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-611511181 | Toronto Research | In stock | 90 | As is | in stock |
| P-886962105 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 454.901 |
| logP | 7.3492 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 75.21 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 130.417 |
| Atoms | 52 |
| Rings | 5 |
| Heavy atoms | 33 |
| Hydrogen atoms | 19 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
