Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6070023538-0
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 | 142 USD | 90 | 18 working days | Get Quote |
| 5 mg | 168 USD | 90 | 18 working days | Get Quote |
| 10 mg | 187 USD | 90 | 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.
-
1
MCULE-2598488562-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6070023538-0.sdf |
| SMILES | MCULE-6070023538-0.smiles |
| Standard InChI | MCULE-6070023538-0.inchi |
| InChIKey | MCULE-6070023538-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-675491331 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-675475252 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-892979594 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
| P-596507839 | Asinex | General bb catalog | 90 | Main component | unavailable |
| P-563690019 | Key Organics | Building Blocks | 95 | Main component | 250 mg |
| P-869052581 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| P-886303059 | A2B Chem | Predominantly Building Block on demand | N/A | Main component as a main component | by synthesis |
| P-892494810 | Asinex | General screening catalog | 90 | Main component as a main component | 1000 mg |
| P-851998579 | LeadGen Labs | In-stock compounds | 96 | Main component as a main component | in stock |
| P-25757944 | Life Chemicals | Screening Compounds | 90 | Main component as a main component | 53 mg |
| P-852388885 | Matrix Scientific | All | N/A | Main component as a main component | in stock |
| P-852395604 | Matrix Scientific | All | N/A | Main component as a main component | in stock |
| P-873218469 | TimTec | Building Block Collection | 90 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 289.241 |
| logP | 4.656 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 29.26 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 84.4364 |
| Atoms | 40 |
| Rings | 2 |
| Heavy atoms | 18 |
| Hydrogen atoms | 22 |
| Heteroatoms | 4 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
