Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3825416123
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 | 91 USD | 95 | 12 working days | Get Quote |
| 5 mg | 135 USD | 97 | 20 working days | Get Quote |
| 10 mg | 135 USD | 97 | 20 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.
-
MCULE-8164357350
- Component type: Main
-
MCULE-5253995720
- Component type: Main
-
MCULE-6869291030
- Component type: Main
-
MCULE-2441509293
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3825416123.sdf |
| SMILES | MCULE-3825416123.smiles |
| Standard InChI | MCULE-3825416123.inchi |
| InChIKey | MCULE-3825416123.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892889459 | 98 | As is | in stock |
| P-890190405 | 98 | As is | in stock |
| P-903389352 | 97 | As is | 25 mg |
| P-891664069 | N/A | As is | by synthesis |
| P-895112340 | 97 | As is | 5 g |
| P-1274868574 | 95 | As is | by resynthesis (? - ? days) |
| P-905595616 | 97 | As is | by synthesis |
| P-887191548 | 95 | As is | by synthesis |
| P-873247663 | 97 | As is | 5 mg |
| P-863730261 | 95 | As is | in stock |
| P-892257817 | 95 | As is | unavailable |
| P-892340914 | 95 | As is | 181 mg |
| P-855369392 | 90 | As is | in stock |
| P-1271593138 | 98 | As is | in stock |
| P-891658577 | N/A | As a main component | by synthesis |
| P-891662507 | N/A | As a main component | by synthesis |
| P-905609821 | 98 | As a main component | by synthesis |
| P-905570335 | 98 | As a main component | by synthesis |
| P-854706982 | 95 | As a main component | by synthesis |
| P-892258736 | 95 | As a main component | unavailable |
| P-892260549 | 95 | As a main component | unavailable |
| P-892260191 | 95 | As a main component | unavailable |
| P-892342165 | 95 | As a main component | unavailable |
| P-892341362 | 95 | As a main component | unavailable |
| P-892342011 | 95 | As a main component | unavailable |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 438.523 |
| logP | 5.0808 |
| H-bond acceptors | 7 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 105.13 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 124.6884 |
| Atoms | 54 |
| Rings | 5 |
| Heavy atoms | 31 |
| Hydrogen atoms | 23 |
| Heteroatoms | 9 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
