Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3319128136
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 | 9 USD | 98 | 14 working days | Get Quote |
| 5 mg | 9 USD | 98 | 14 working days | Get Quote |
| 10 mg | 9 USD | 98 | 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.
| Name | File |
|---|---|
| SDF | MCULE-3319128136.sdf |
| SMILES | MCULE-3319128136.smiles |
| Standard InChI | MCULE-3319128136.inchi |
| InChIKey | MCULE-3319128136.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867634933 | 97 | As is | in stock |
| P-875799686 | N/A | As is | in stock |
| P-590402744 | 95 | As is | in stock |
| P-903154273 | 98 | As is | 400 g |
| P-893520103 | 90 | As is | 799.48 g |
| P-871256239 | N/A | As is | in stock |
| P-489140598 | 97 | As is | in stock |
| P-873295211 | 98 | As is | 200 g |
| P-494307075 | 95 | As is | by resynthesis (? - ? days) |
| P-889577971 | 95 | As is | in stock |
| P-901924539 | 95 | As is | 19.765 g |
| P-868584017 | 98 | As is | in stock |
| P-580292353 | N/A | As is | by resynthesis (? - ? days) |
| P-861922222 | 98 | As is | 6 g |
| P-870657874 | N/A | As is | in stock |
| P-588708962 | 97 | As is | unavailable |
| P-588255400 | N/A | As is | by synthesis |
| P-852377757 | N/A | As is | in stock |
| P-874447455 | 95 | As is | in stock |
| P-500394599 | 98 | As is | by synthesis |
| P-23114186 | 90 | As is | in stock |
| P-502391201 | 90 | As is | in stock |
| P-906865731 | 98 | As is | by synthesis |
| P-611459594 | 90 | As is | in stock |
| P-872752978 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 140.154 |
| logP | 2.2244 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 9.23 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 37.699 |
| Atoms | 19 |
| Rings | 1 |
| Heavy atoms | 10 |
| Hydrogen atoms | 9 |
| Heteroatoms | 2 |
| N/O atoms | 1 |
| 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 |
