Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3342786685
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 | 6 USD | 97 | 14 working days | Get Quote |
| 5 mg | 6 USD | 97 | 14 working days | Get Quote |
| 10 mg | 6 USD | 97 | 14 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.
-
MCULE-5166040664
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3342786685.sdf |
| SMILES | MCULE-3342786685.smiles |
| Standard InChI | MCULE-3342786685.inchi |
| InChIKey | MCULE-3342786685.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867595385 | 97 | As is | in stock |
| P-875754160 | N/A | As is | in stock |
| P-590359781 | 97 | As is | in stock |
| P-903087637 | 97 | As is | 5 g |
| P-893557756 | 90 | As is | 93.507 g |
| P-893302134 | N/A | As is | in stock |
| P-606855262 | N/A | As is | in stock |
| P-489202339 | 97 | As is | in stock |
| P-596957875 | 97 | As is | 5 g |
| P-589656844 | 95 | As is | by resynthesis (? - ? days) |
| P-864123448 | 95 | As is | in stock |
| P-580723504 | 97 | As is | 11.605 g |
| P-901431096 | 95 | As is | by synthesis |
| P-868581405 | 97 | As is | in stock |
| P-905343904 | 95 | As is | 1000 mg |
| P-524200537 | 97 | As is | 25 g |
| P-615657584 | 95 | As is | in stock |
| P-854742311 | 95 | As is | in stock |
| P-873285924 | N/A | As is | in stock |
| P-502395264 | 90 | As is | in stock |
| P-611580809 | 90 | As is | in stock |
| P-893938130 | 95 | As is | in stock |
| P-886817350 | 95 | As a main component | in stock |
| P-890093614 | N/A | As a main component | by synthesis |
| P-903428941 | 95 | As a main component | 2.5 g |
| P-904997299 | N/A | As a main component | by synthesis |
| P-889807837 | 95 | As a main component | by synthesis |
| P-905525040 | 95 | As a main component | by synthesis |
| P-861398879 | 95 | As a main component | by synthesis |
| P-890273494 | 90 | As a main component | 260 mg |
| P-893812906 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 181.231 |
| logP | 1.8141 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 30.49 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 52.0007 |
| Atoms | 28 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 15 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |
