Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5815868595
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 | 13 USD | 97 | 11 working days | Get Quote |
| 5 mg | 13 USD | 97 | 11 working days | Get Quote |
| 10 mg | 13 USD | 97 | 11 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-8279853852
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5815868595.sdf |
| SMILES | MCULE-5815868595.smiles |
| Standard InChI | MCULE-5815868595.inchi |
| InChIKey | MCULE-5815868595.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-852093358 | N/A | Main component | by synthesis |
| P-875823604 | N/A | Main component | in stock |
| P-869226229 | 98 | Main component | in stock |
| P-881672259 | 95 | Main component | in stock |
| P-505391954 | 98 | Main component | in stock |
| P-864138614 | 95 | Main component | in stock |
| P-889739278 | 95 | Main component | 55 g |
| P-893261134 | 95 | Main component | by synthesis |
| P-868613338 | 97 | Main component | in stock |
| P-505493887 | 95 | Main component | in stock |
| P-492242369 | 95 | Main component | in stock |
| P-524443068 | 97 | Main component | 5.351 g |
| P-856043452 | 90 | Main component | 10 g |
| P-31137735 | 90 | Main component | 10 g |
| P-896628741 | 95 | Main component | by synthesis |
| P-872529317 | 95 | Main component | in stock |
| P-584625484 | 95 | Main component | in stock |
| P-888173743 | 98 | Main component | by synthesis |
| P-500400357 | 95 | Main component | by synthesis |
| P-885517167 | 95 | Main component | by synthesis |
| P-19546416 | 90 | Main component | in stock |
| P-869124711 | 95 | Main component | by synthesis |
| P-892290463 | 95 | Main component | unavailable |
| P-888638428 | 95 | Main component | 197 mg |
| P-502364819 | 90 | Main component | in stock |
| P-22452691 | 90 | Main component | 172 mg |
| P-611453735 | 90 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 238.115 |
| logP | 2.3366 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 62.73 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 60.0274 |
| Atoms | 27 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 13 |
| Heteroatoms | 7 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
