Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5595602204
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 | 34 USD | 90 | 19 working days | Get Quote |
| 5 mg | 51 USD | 90 | 19 working days | Get Quote |
| 10 mg | 66 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-5595602204.sdf |
| SMILES | MCULE-5595602204.smiles |
| Standard InChI | MCULE-5595602204.inchi |
| InChIKey | MCULE-5595602204.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-852075894 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-875740384 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-595217743 | AK Scientific | Building Blocks | 97 | As is | in stock |
| P-893533099 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | unavailable |
| P-851500558 | AmBeed | On request | N/A | As is | by synthesis |
| P-489240547 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-889772166 | AstaTech | In Stock BBs | 97 | As is | in stock |
| P-590828110 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
| P-861442265 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-580376503 | Debye Scientific | General Catalog | N/A | As is | by resynthesis (? - ? days) |
| P-488551689 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-13754978 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
| P-563389045 | Key Organics | Building Blocks | 97 | As is | 250 mg |
| P-588251124 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-852394666 | Matrix Scientific | All | N/A | As is | in stock |
| P-854920986 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-454372498 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-500381704 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-19559962 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885518429 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-502385441 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611603187 | Toronto Research | In stock | 90 | As is | in stock |
| P-464679314 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 3.999 g |
| P-2325210 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 3.999 g |
| P-575330454 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 216.235 |
| logP | 2.7639 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 68.26 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 60.5956 |
| Atoms | 28 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 12 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
