Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7857189389-4
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 | 6 USD | N/A | 9 working days | Get Quote |
| 5 mg | 17 USD | N/A | 9 working days | Get Quote |
| 10 mg | 17 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.
-
1
MCULE-2885245608-1
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-7857189389-4.sdf |
| SMILES | MCULE-7857189389-4.smiles |
| Standard InChI | MCULE-7857189389-4.inchi |
| InChIKey | MCULE-7857189389-4.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-895199510 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
| P-606894618 | AmBeed | In stock | N/A | Main component | in stock |
| P-862021950 | FluoroChem | General BB | 95 | Main component | in stock |
| P-856014831 | LaboTest | Screening Collection | 90 | Main component | 2 g |
| P-852462737 | Matrix Scientific | All | N/A | Main component | in stock |
| P-896630162 | MedChemExpress | Screening compounds on demand | 95 | Main component | by synthesis |
| P-854718315 | MedChemExpress | Screening compounds In stock | 95 | Main component | in stock |
| P-892286755 | TargetMol | In Stock BB | 95 | Main component | 1.001 g |
| P-502365885 | TimTec | Building Block Collection | 90 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 288.802 |
| logP | 2.18118 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 7 |
| PSA | 114.19 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 76.1481 |
| Atoms | 35 |
| Rings | 1 |
| Heavy atoms | 18 |
| Hydrogen atoms | 17 |
| Heteroatoms | 8 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
