Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-1739582096
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 | 22 USD | 98 | 20 working days | Get Quote |
| 5 mg | 22 USD | 98 | 20 working days | Get Quote |
| 10 mg | 22 USD | 98 | 20 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.
-
1
MCULE-5156620838
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1739582096.sdf |
| SMILES | MCULE-1739582096.smiles |
| Standard InChI | MCULE-1739582096.inchi |
| InChIKey | MCULE-1739582096.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886593240 | 95 | As is | in stock |
| P-889918211 | N/A | As is | by synthesis |
| P-894612268 | 95 | As is | in stock |
| P-1263694623 | N/A | As is | in stock |
| P-889454626 | 95 | As is | by synthesis |
| P-901565629 | 95 | As is | by synthesis |
| P-861063152 | 95 | As is | in stock |
| P-505545672 | 95 | As is | in stock |
| P-611477998 | 90 | As is | in stock |
| P-875791249 | N/A | Main component | in stock |
| P-853440106 | 95 | Main component | in stock |
| P-851936291 | N/A | Main component | in stock |
| P-597006130 | 98 | Main component | 30 g |
| P-864162990 | 95 | Main component | in stock |
| P-580283103 | N/A | Main component | by resynthesis (? - ? days) |
| P-893944109 | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 250.118 |
| logP | 3.4052 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 52.32 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 61.7964 |
| Atoms | 28 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 13 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
