Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2755269650
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 | 52 USD | 95 | 14 working days | Get Quote |
| 5 mg | 75 USD | 95 | 13 working days | Get Quote |
| 10 mg | 75 USD | 95 | 13 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-1745226719
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2755269650.sdf |
| SMILES | MCULE-2755269650.smiles |
| Standard InChI | MCULE-2755269650.inchi |
| InChIKey | MCULE-2755269650.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-900154522 | AvaChem Scientific | In stock | 95 | As is | in stock |
| P-578048753 | Chemfaces | Natural Compounds | 98 | As is | in stock |
| P-868598992 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
| P-579476805 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
| P-896629653 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
| P-863740446 | MedChemExpress | Natural Products In stock | 95 | As is | in stock |
| P-584624844 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-878648422 | Molnova | Stock | 98 | As is | in stock |
| P-895176023 | MedChemExpress | Natural Products on demand | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 352.426 |
| logP | 3.1167 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 54.56 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 103.4727 |
| Atoms | 50 |
| Rings | 5 |
| Heavy atoms | 26 |
| Hydrogen atoms | 24 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 4 |
| 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 |
