Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3935837943
Compound
Show structures
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 | 16 USD | 95 | 18 working days | Get Quote |
| 5 mg | 16 USD | 95 | 18 working days | Get Quote |
| 10 mg | 16 USD | 95 | 18 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-1716445656
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3935837943.sdf |
| SMILES | MCULE-3935837943.smiles |
| Standard InChI | MCULE-3935837943.inchi |
| InChIKey | MCULE-3935837943.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867577059 | 98 | As is | in stock |
| P-875736526 | N/A | As is | in stock |
| P-869191640 | 95 | As is | in stock |
| P-505353393 | 98 | As is | in stock |
| P-589655198 | 95 | As is | by resynthesis (? - ? days) |
| P-864146395 | 98 | As is | in stock |
| P-893251946 | 95 | As is | by synthesis |
| P-905307366 | 99 | As is | 3.379 kg |
| P-505516179 | 95 | As is | in stock |
| P-502452380 | 95 | As is | by synthesis |
| P-855929217 | 95 | As is | 25 g |
| P-855954779 | 97 | As is | 25 g |
| P-579616754 | 98 | As is | unavailable |
| P-31274508 | 90 | As is | 10 g |
| P-856040127 | 90 | As is | 10 g |
| P-613276543 | 95 | As is | by synthesis |
| P-26433785 | 90 | As is | 5.7 g |
| P-617692794 | 90 | As is | 5.7 g |
| P-889880388 | 95 | As is | by synthesis |
| P-502368321 | 90 | As is | in stock |
| P-611407141 | 90 | As is | in stock |
| P-867508543 | N/A | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 152.974 |
| logP | 0.8544 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 37.3 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 26.1768 |
| Atoms | 11 |
| Rings | 0 |
| Heavy atoms | 6 |
| Hydrogen atoms | 5 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
