Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4204620699
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 | 23 USD | 98 | 16 working days | Get Quote |
| 5 mg | 57 USD | 98 | 16 working days | Get Quote |
| 10 mg | 191 USD | 98 | 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-4204620699.sdf |
| SMILES | MCULE-4204620699.smiles |
| Standard InChI | MCULE-4204620699.inchi |
| InChIKey | MCULE-4204620699.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867677614 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875854421 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-610970076 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 11.483 g |
| P-606862364 | AmBeed | In stock | N/A | As is | in stock |
| P-865931295 | Angene | Building Blocks in stock | 98 | As is | 983 mg |
| P-864181322 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-584627663 | BLD pharm | In-stock building blocks | 98 | As is | 983 mg |
| P-887182924 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-854621098 | Excenen | Excenen compounds | 98 | As is | in stock |
| P-675213660 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-854717110 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-584626917 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-608271578 | Molnova | Stock | 98 | As is | in stock |
| P-617404325 | Selleckchem | Product Catalog | N/A | As is | in stock |
| P-888656223 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-575331201 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-855071740 | Toronto Research | In stock | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 603.585 |
| logP | 7.3462 |
| H-bond acceptors | 8 |
| H-bond donors | 1 |
| Rotatable bonds | 9 |
| PSA | 126.16 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 148.5113 |
| Atoms | 67 |
| Rings | 7 |
| Heavy atoms | 42 |
| Hydrogen atoms | 25 |
| Heteroatoms | 13 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 4 |
| Chiral centers | 3 |
| R/S chiral centers | 3 |
| 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 |
