Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4749695585
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 | 21 USD | 99 | 20 working days | Get Quote |
| 5 mg | 21 USD | 99 | 20 working days | Get Quote |
| 10 mg | 21 USD | 99 | 20 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.
-
MCULE-2405206865
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4749695585.sdf |
| SMILES | MCULE-4749695585.smiles |
| Standard InChI | MCULE-4749695585.inchi |
| InChIKey | MCULE-4749695585.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867550052 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875707710 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-505390842 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-489159149 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596941182 | Angene | Building Blocks in stock | 99 | As is | 10 g |
| P-580194536 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
| P-869395046 | AstaTech | Backordered BBs | 98 | As is | by synthesis |
| P-851278619 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-861411918 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-608494444 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
| P-862089997 | FluoroChem | General BB | N/A | As is | in stock |
| P-870652191 | Glentham Life Sciences | Compounds typically in stock | 98 | As is | in stock |
| P-488556088 | InterBioScreen | Bioactive compounds | 92 | As is | in stock |
| P-488548161 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-524444070 | Key Organics | Biochemicals | 97 | As is | 951 mg |
| P-854718221 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-474021239 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-888171675 | Molnova | On demand | 98 | As is | by synthesis |
| P-454367255 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-500380241 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-23969431 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885523795 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-579711765 | Selleckchem | Product Catalog | N/A | As is | in stock |
| P-888657527 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-869162136 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-873223253 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611375377 | Toronto Research | In stock | 90 | As is | in stock |
| P-611492687 | Toronto Research | In stock | 90 | As is | in stock |
| P-2377225 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 2 mg |
| P-666966088 | eNovation Chemicals LLC | Building Blocks in stock | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 327.395 |
| logP | 3.0087 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 6 |
| PSA | 36.44 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 99.7845 |
| Atoms | 46 |
| Rings | 3 |
| Heavy atoms | 24 |
| Hydrogen atoms | 22 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| 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 |
