Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6018805861-0
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 | 31 USD | 98 | 22 working days | Get Quote |
| 5 mg | 43 USD | 98 | 22 working days | Get Quote |
| 10 mg | 68 USD | 98 | 22 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-1928253699-0
- Component type: Main
-
2
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6018805861-0.sdf |
| SMILES | MCULE-6018805861-0.smiles |
| Standard InChI | MCULE-6018805861-0.inchi |
| InChIKey | MCULE-6018805861-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-893457581 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 120 mg |
| P-854713235 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-474023877 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-878640712 | Molnova | Stock | 98 | As is | in stock |
| P-888174049 | Molnova | On demand | 98 | As is | by synthesis |
| P-579712529 | Selleck Biotechnology GmbH | Product Catalog | N/A | As is | in stock |
| P-589631510 | Selleck Biotechnology GmbH | Epigenetics | N/A | As is | in stock |
| P-851278729 | Chemshuttle | On request catalog | 95 | Main component | by synthesis |
| P-895877904 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| P-895188992 | MedChemExpress | Screening compounds on demand | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 289.241 |
| logP | 4.2078 |
| H-bond acceptors | 2 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 24.06 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 84.2774 |
| Atoms | 40 |
| Rings | 3 |
| Heavy atoms | 18 |
| Hydrogen atoms | 22 |
| Heteroatoms | 4 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
