Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4696641554
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 | 66 USD | 90 | 10 working days | Get Quote |
| 5 mg | 77 USD | 90 | 30 working days | Get Quote |
| 10 mg | 83 USD | 90 | 30 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-1594316562
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4696641554.sdf |
| SMILES | MCULE-4696641554.smiles |
| Standard InChI | MCULE-4696641554.inchi |
| InChIKey | MCULE-4696641554.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886566535 | A2B Chem | Predominantly Building Block in stock | 92 | As is | in stock |
| P-889907983 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
| P-890251450 | ACS Scientific | Synthesis catalog | 97 | As is | by synthesis |
| P-613846450 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-851642286 | AmBeed | On request | N/A | As is | by synthesis |
| P-589654610 | Apollo Scientific | In Stock | 95 | As is | in stock |
| P-889809774 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-889738139 | Atlantic Research Chemicals Ltd | Building Blocks (on-demand) | 95 | As is | by synthesis |
| P-590995963 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-7581642 | ChemDiv | Discovery Chemistry Library | 90 | As is | 1 mg |
| P-861384366 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-580412006 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-861983394 | FluoroChem | General BB | N/A | As is | in stock |
| P-890217544 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
| P-590339975 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | in stock |
| P-454301247 | Key Organics | Screening Compounds and Fragments | 90 | As is | 35 mg |
| P-852450583 | Matrix Scientific | All | N/A | As is | in stock |
| P-428013530 | Maybridge | Screening Collection | 95 | As is | 577 g |
| P-854863701 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-859994370 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-502360521 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611588287 | Toronto Research | In stock | 90 | As is | in stock |
| P-886790290 | A2B Chem | Predominantly Building Block in stock | 95 | As a main component | in stock |
| P-890074939 | AA Blocks | AA Blocks - synthesis | N/A | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 191.273 |
| logP | 2.2959 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 42.15 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 61.3594 |
| Atoms | 31 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 17 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |
