Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9528295711-0
Structure
Show compound
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 | 29 USD | 95 | 10 working days | Get Quote |
| 5 mg | 29 USD | 95 | 10 working days | Get Quote |
| 10 mg | 29 USD | 95 | 10 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-4597423217-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-9528295711-0.sdf |
| SMILES | MCULE-9528295711-0.smiles |
| Standard InChI | MCULE-9528295711-0.inchi |
| InChIKey | MCULE-9528295711-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-872935834 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-889924727 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
| P-869206426 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-851685373 | AmBeed | On request | N/A | As is | by synthesis |
| P-889808978 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-591003407 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-891639542 | Key Organics | Building Blocks | 97 | As is | 1000 mg |
| P-854840958 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-502331701 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-893813122 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| P-867668241 | A2B Chem | Predominantly Building Block in stock | N/A | As a main component | in stock |
| P-875839812 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
| P-894625444 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
| P-851494314 | AmBeed | On request | N/A | As a main component | by synthesis |
| P-494347650 | Apollo Scientific | In Stock | 95 | As a main component | 1.19 g |
| P-590875077 | BLD pharm | Non-stock building blocks | 95 | As a main component | by synthesis |
| P-616225178 | ChemBridge | Building Block Library | 95 | As a main component | in stock |
| P-4137823 | ChemBridge | EXPRESS-Pick Collection | 90 | As a main component | 100 mg |
| P-861548093 | Combi-Blocks | Building Block on demand | 95 | As a main component | by synthesis |
| P-454391706 | Key Organics | Building Blocks | 95 | As a main component | 139 mg |
| P-454297898 | Key Organics | Screening Compounds and Fragments | 95 | As a main component | 139 mg |
| P-854929774 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
| P-611486221 | Toronto Research | In stock | 90 | As a main component | in stock |
| P-893667166 | eNovation Chemicals LLC | Building Block on demand | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 199.248 |
| logP | 3.5256 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 35.25 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 62.7744 |
| Atoms | 28 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 13 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |
