Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3774736319
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 | 62 USD | 98 | 15 working days | Get Quote |
| 5 mg | 62 USD | 98 | 15 working days | Get Quote |
| 10 mg | 62 USD | 98 | 15 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-2244543604
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3774736319.sdf |
| SMILES | MCULE-3774736319.smiles |
| Standard InChI | MCULE-3774736319.inchi |
| InChIKey | MCULE-3774736319.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886512245 | 97 | As is | in stock |
| P-890137037 | 97 | As is | in stock |
| P-612934498 | 95 | As is | by resynthesis (? - ? days) |
| P-903007279 | 97 | As is | 15 g |
| P-893580005 | 90 | As is | 79.539 g |
| P-1270329555 | 98 | As is | in stock |
| P-901180018 | N/A | As is | in stock |
| P-489167338 | 97 | As is | in stock |
| P-865901873 | 97 | As is | 20 g |
| P-895944318 | 95 | As is | by resynthesis (? - ? days) |
| P-869382716 | 97 | As is | in stock |
| P-901920119 | 98 | As is | 200 mg |
| P-887252308 | 95 | As is | by synthesis |
| P-580291434 | N/A | As is | by resynthesis (? - ? days) |
| P-905419269 | 97 | As is | 25.44 g |
| P-870659596 | N/A | As is | in stock |
| P-1275084041 | 97 | As is | 100 mg |
| P-873242005 | 97 | As is | 5 mg |
| P-863715165 | 95 | As is | in stock |
| P-888880199 | N/A | As is | in stock |
| P-500408681 | 98 | As is | by synthesis |
| P-611397703 | 90 | As is | in stock |
| P-1279087723 | 95 | As is | in stock |
| P-901028736 | 95 | As a main component | by synthesis |
| P-904222135 | 95 | As a main component | unavailable |
| P-904238753 | 95 | As a main component | unavailable |
| P-1271540627 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 116.119 |
| logP | -0.4266 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 0 |
| PSA | 66.56 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 29.6759 |
| Atoms | 16 |
| Rings | 1 |
| Heavy atoms | 8 |
| Hydrogen atoms | 8 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| 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 |
