Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4016129289
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 | 43 USD | 98 | 16 working days | Get Quote |
| 5 mg | 43 USD | 98 | 16 working days | Get Quote |
| 10 mg | 63 USD | 98 | 16 working days | Get Quote |
- 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-4016129289.sdf |
| SMILES | MCULE-4016129289.smiles |
| Standard InChI | MCULE-4016129289.inchi |
| InChIKey | MCULE-4016129289.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-610959399 | 90 | As is | 17.907 g |
| P-860055602 | 98 | As is | by synthesis |
| P-851280218 | 95 | As is | by synthesis |
| P-861492748 | 95 | As is | by synthesis |
| P-852493610 | 95 | As is | by synthesis |
| P-854719502 | 95 | As is | in stock |
| P-896628259 | 95 | As is | by synthesis |
| P-474021726 | 95 | As is | in stock |
| P-608275199 | 98 | As is | in stock |
| P-1263958156 | 90 | As is | in stock |
| P-617401912 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 519.676 |
| logP | 3.5221 |
| H-bond acceptors | 10 |
| H-bond donors | 4 |
| Rotatable bonds | 14 |
| PSA | 150.7 |
| RO5 violations | 1 |
| RO3 violations | 6 |
| Refractivity | 144.3915 |
| Atoms | 82 |
| Rings | 3 |
| Heavy atoms | 37 |
| Hydrogen atoms | 45 |
| Heteroatoms | 10 |
| N/O atoms | 10 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 5 |
| R/S chiral centers | 4 |
| 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 |
