Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3112507039
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 | 36 USD | 95 | 26 working days | Get Quote |
| 5 mg | 36 USD | 95 | 26 working days | Get Quote |
| 10 mg | 41 USD | 95 | 26 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-3112507039.sdf |
| SMILES | MCULE-3112507039.smiles |
| Standard InChI | MCULE-3112507039.inchi |
| InChIKey | MCULE-3112507039.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-852136230 | 95 | As is | by synthesis |
| P-901286791 | N/A | As is | in stock |
| P-869369679 | 95 | As is | in stock |
| P-851754773 | N/A | As is | by synthesis |
| P-901347246 | 95 | As is | by synthesis |
| P-591079014 | 95 | As is | by synthesis |
| P-504664728 | 85 | As is | 5 mg |
| P-454629513 | 90 | As is | in stock |
| P-436446142 | 95 | As is | 10 g |
| P-19961557 | 90 | As is | in stock |
| P-868635573 | 95 | As is | in stock |
| P-34500324 | 90 | As is | in stock |
| P-596591177 | 90 | As is | 5 g |
| P-852396809 | N/A | As is | in stock |
| P-854923338 | 95 | As is | by synthesis |
| P-885526191 | 95 | As is | by synthesis |
| P-23916748 | 90 | As is | in stock |
| P-22872827 | 90 | As is | in stock |
| P-888515662 | 94 | As is | by resynthesis (? - ? days) |
| P-855301711 | 90 | As is | in stock |
| P-1377290 | 90 | As is | 2.147 g |
| P-3236538 | 90 | As is | 2.147 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 293.315 |
| logP | 3.917 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 59.42 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 85.5963 |
| Atoms | 37 |
| Rings | 3 |
| Heavy atoms | 22 |
| Hydrogen atoms | 15 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
