Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3932172947-0
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 | 35 USD | 90 | 17 working days | Get Quote |
| 5 mg | 35 USD | 90 | 17 working days | Get Quote |
| 10 mg | 39 USD | 95 | 11 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-8561860540-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3932172947-0.sdf |
| SMILES | MCULE-3932172947-0.smiles |
| Standard InChI | MCULE-3932172947-0.inchi |
| InChIKey | MCULE-3932172947-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-892867698 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-889938555 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
| P-874652636 | AK Scientific | Building Blocks | 97 | As is | in stock |
| P-675062222 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-869713942 | Asinex | General screening catalog | 90 | As is | 90 mg |
| P-584500098 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 10 mg |
| P-454632997 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-448712787 | ChemDiv | Discovery Chemistry Library | 90 | As is | 95 mg |
| P-868603694 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
| P-856045729 | LaboTest | Building Blocks | 90 | As is | 2 g |
| P-31177569 | LaboTest | Screening Collection | 90 | As is | 2 g |
| P-888172255 | Molnova | On demand | 98 | As is | by synthesis |
| P-881187841 | Otava | In-House Stock Library | 90 | As is | 100 mg |
| P-873213955 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611474532 | Toronto Research | In stock | 90 | As is | in stock |
| P-618044522 | InterBioScreen | Natural Compounds | 92 | As a main component | 172 mg |
| P-596564377 | Key Organics | Building Blocks | 97 | As a main component | 5 g |
| P-856045730 | LaboTest | Building Blocks | 90 | As a main component | 2 g |
| P-856034028 | LaboTest | Screening Collection | 90 | As a main component | 2 g |
| P-675071255 | Princeton Biomolecular Research | Screening Compounds | 90 | As a main component | in stock |
| P-33162611 | TimTec | ActiMol 1 Week - Stock | 90 | As a main component | 1000 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 413.419 |
| logP | 2.8197 |
| H-bond acceptors | 8 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 75.69 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 109.8765 |
| Atoms | 53 |
| Rings | 5 |
| Heavy atoms | 30 |
| Hydrogen atoms | 23 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
