Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5470058311
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 | 20 USD | 96 | 14 working days | Get Quote |
| 5 mg | 20 USD | 96 | 14 working days | Get Quote |
| 10 mg | 20 USD | 96 | 14 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.
| Name | File |
|---|---|
| SDF | MCULE-5470058311.sdf |
| SMILES | MCULE-5470058311.smiles |
| Standard InChI | MCULE-5470058311.inchi |
| InChIKey | MCULE-5470058311.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867639752 | 98 | As is | in stock |
| P-875805659 | N/A | As is | in stock |
| P-505349700 | 97 | As is | in stock |
| P-869207474 | 98 | As is | in stock |
| P-903163130 | 96 | As is | 25 g |
| P-893503207 | 90 | As is | 569 g |
| P-907308187 | 95 | As is | 495 g |
| P-606919604 | N/A | As is | in stock |
| P-489195444 | 97 | As is | in stock |
| P-597008763 | 96 | As is | 10 g |
| P-494347689 | 95 | As is | 3 g |
| P-864127236 | 95 | As is | in stock |
| P-866715336 | 98 | As is | 5.215 g |
| P-872446949 | 90 | As is | 100 mg |
| P-868650901 | 98 | As is | in stock |
| P-580425172 | 95 | As is | by resynthesis (? - ? days) |
| P-502496061 | 95 | As is | by synthesis |
| P-454418053 | 95 | As is | 12.314 g |
| P-454354456 | 95 | As is | 12.314 g |
| P-852470235 | N/A | As is | in stock |
| P-854833020 | 95 | As is | by synthesis |
| P-889875079 | 95 | As is | by synthesis |
| P-535715047 | N/A | As is | in stock |
| P-886958378 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 212.243 |
| logP | 3.3602 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 37.3 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 63.8033 |
| Atoms | 28 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 12 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
