Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5744287295
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 | 91 USD | 95 | 14 working days | Get Quote |
| 5 mg | 91 USD | 95 | 14 working days | Get Quote |
| 10 mg | 91 USD | 95 | 14 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-5744287295.sdf |
| SMILES | MCULE-5744287295.smiles |
| Standard InChI | MCULE-5744287295.inchi |
| InChIKey | MCULE-5744287295.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886695120 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-890179100 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-894638639 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-893470665 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 250.027 g |
| P-851842674 | AmBeed | On request | N/A | As is | by synthesis |
| P-873298759 | Angene | Building Blocks in stock | 96 | As is | 75 g |
| P-895939690 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-889589799 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-591085982 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
| P-868549795 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-862111352 | FluoroChem | General BB | 95 | As is | in stock |
| P-502530064 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-601049808 | Life Chemicals | Screening Compounds | 90 | As is | 5.399 g |
| P-14057449 | Life Chemicals | Building Blocks | 95 | As is | 5.399 g |
| P-852507254 | Matrix Scientific | All | N/A | As is | in stock |
| P-869093575 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-888888461 | PharmaBlock | In stock | N/A | As is | in stock |
| P-855253401 | Toronto Research | In stock | 90 | As is | in stock |
| P-886902631 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 194.234 |
| logP | -0.0631 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 52.49 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 60.315 |
| Atoms | 28 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 14 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 |
