Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4517434071
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 | 7 USD | N/A | 9 working days | Get Quote |
| 5 mg | 7 USD | N/A | 9 working days | Get Quote |
| 10 mg | 7 USD | N/A | 9 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-4517434071.sdf |
| SMILES | MCULE-4517434071.smiles |
| Standard InChI | MCULE-4517434071.inchi |
| InChIKey | MCULE-4517434071.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-875736899 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-575539615 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-851927210 | AmBeed | In stock | N/A | As is | in stock |
| P-489140708 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596983459 | Angene | Building Blocks in stock | 98 | As is | 12.275 kg |
| P-895947008 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864211572 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-868613365 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-580424099 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-862018702 | FluoroChem | General BB | N/A | As is | in stock |
| P-596563414 | Key Organics | Building Blocks | 97 | As is | 100 g |
| P-856006693 | Key Organics | Screening Compounds and Fragments | 97 | As is | 100 mg |
| P-31276320 | LaboTest | Screening Collection | 90 | As is | 5 g |
| P-856044109 | LaboTest | Building Blocks | 90 | As is | 5 g |
| P-854737478 | MedChemExpress | In stock Building Blocks | 95 | As is | in stock |
| P-885516659 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-502368938 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-22521434 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 50 mg |
| P-611459729 | Toronto Research | In stock | 90 | As is | in stock |
| P-611459952 | Toronto Research | In stock | 90 | As is | in stock |
| P-666975953 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 172.222 |
| logP | 3.2385 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 9.23 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 55.247 |
| Atoms | 25 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 12 |
| Heteroatoms | 1 |
| N/O atoms | 1 |
| 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 |
