Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4050371716-0
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 | 28 USD | 95 | 12 working days | Get Quote |
| 5 mg | 28 USD | 95 | 12 working days | Get Quote |
| 10 mg | 41 USD | 95 | 12 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-4050371716-0.sdf |
| SMILES | MCULE-4050371716-0.smiles |
| Standard InChI | MCULE-4050371716-0.inchi |
| InChIKey | MCULE-4050371716-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892898533 | 99 | As is | in stock |
| P-901321882 | 99 | As is | in stock |
| P-902998320 | 99 | As is | by resynthesis (? - ? days) |
| P-893453374 | 90 | As is | 1.749 g |
| P-1270337506 | 99 | As is | in stock |
| P-901662514 | N/A | As is | in stock |
| P-895116512 | 98 | As is | 1.5 g |
| P-1273261466 | 95 | As is | by resynthesis (? - ? days) |
| P-1275484856 | 95 | As is | in stock |
| P-901922211 | 99 | As is | 497 mg |
| P-3383262 | 90 | As is | 100 mg |
| P-5990813 | 90 | As is | 43 mg |
| P-895187277 | 95 | As is | in stock |
| P-896072948 | 95 | As is | in stock |
| P-629661168 | 90 | As is | by synthesis |
| P-892299056 | 95 | As is | unavailable |
| P-892273972 | 95 | As is | 2.047 g |
| P-892350488 | 95 | As is | 2.047 g |
| P-906890795 | 98 | As is | by synthesis |
| P-1271626942 | 99 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 292.331 |
| logP | 3.3663 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 61.96 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 85.7549 |
| Atoms | 38 |
| Rings | 3 |
| Heavy atoms | 22 |
| Hydrogen atoms | 16 |
| 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 |
