Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4079670072
Compound
Show structures
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 | 24 USD | 92 | 18 working days | Get Quote |
| 5 mg | 38 USD | 92 | 18 working days | Get Quote |
| 10 mg | 47 USD | 92 | 18 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-4079670072.sdf |
| SMILES | MCULE-4079670072.smiles |
| Standard InChI | MCULE-4079670072.inchi |
| InChIKey | MCULE-4079670072.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867415565 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-874542049 | ChemDiv | Discovery Chemistry Library | 90 | As is | unavailable |
| P-580373264 | Debye Scientific | General Catalog | N/A | As is | by resynthesis (? - ? days) |
| P-502569324 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-492236712 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-13876894 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-13840289 | InterBioScreen | Screening Compounds | 95 | As is | 300 mg |
| P-596596816 | Key Organics | Building Blocks | 90 | As is | 500 mg |
| P-454373704 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-14027941 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
| P-491122000 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-873235281 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-25686644 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.003 g |
| P-464688500 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.003 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 213.191 |
| logP | 1.8368 |
| H-bond acceptors | 7 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 111.8 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 53.639 |
| Atoms | 26 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 11 |
| Heteroatoms | 7 |
| N/O atoms | 7 |
| 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 |
