Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4050779572-0
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 | 13 USD | 97 | 11 working days | Get Quote |
| 5 mg | 13 USD | 97 | 11 working days | Get Quote |
| 10 mg | 13 USD | 97 | 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-7377057280-0
- Component type: Unknown
-
MCULE-5865229116-0
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-4050779572-0.sdf |
| SMILES | MCULE-4050779572-0.smiles |
| Standard InChI | MCULE-4050779572-0.inchi |
| InChIKey | MCULE-4050779572-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867587550 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
| P-875746580 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-597017819 | AEchem | Building blocks | 95 | As is | in stock |
| P-869185901 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-590398213 | AK Scientific | Building Blocks | N/A | As is | in stock |
| P-494348519 | Apollo Scientific | In Stock | 95 | As is | 12.265 kg |
| P-868609423 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
| P-580433295 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-889114934 | FluoroChem | In Stock BB | 99 | As is | 1000 g |
| P-454408188 | Key Organics | Building Blocks | 95 | As is | 4.71104 kg |
| P-579625894 | LabSeeker, Inc | Stock Collection | 99 | As is | in stock |
| P-856041604 | LaboTest | Building Blocks | 90 | As is | 10 g |
| P-31274730 | LaboTest | Screening Collection | 90 | As is | 10 g |
| P-613282608 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
| P-852465327 | Matrix Scientific | All | N/A | As is | in stock |
| P-620224083 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 1000 mg |
| P-620069356 | Otava | In-House Stock Library | 90 | As is | 1000 mg |
| P-885539593 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-502368417 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-489190035 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As a component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 120.191 |
| logP | 2.6118 |
| H-bond acceptors | 0 |
| H-bond donors | 0 |
| Rotatable bonds | 0 |
| PSA | 0.0 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 41.34 |
| Atoms | 21 |
| Rings | 1 |
| Heavy atoms | 9 |
| Hydrogen atoms | 12 |
| Heteroatoms | 0 |
| N/O atoms | 0 |
| 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 |
