Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5884141657
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 | 36 USD | 90 | 26 working days | Get Quote |
| 5 mg | 36 USD | 90 | 26 working days | Get Quote |
| 10 mg | 41 USD | 90 | 26 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-5884141657.sdf |
| SMILES | MCULE-5884141657.smiles |
| Standard InChI | MCULE-5884141657.inchi |
| InChIKey | MCULE-5884141657.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867653834 | N/A | As is | in stock |
| P-875820974 | N/A | As is | in stock |
| P-869363885 | 95 | As is | in stock |
| P-903182757 | 97 | As is | 125 g |
| P-889751796 | N/A | As is | in stock |
| P-904963385 | 95 | As is | in stock |
| P-892506304 | 95 | As is | by synthesis |
| P-890238873 | 97 | As is | 96.355 g |
| P-34909562 | 90 | As is | in stock |
| P-861392640 | 95 | As is | by synthesis |
| P-890213643 | 90 | As is | in stock |
| P-590336061 | 90 | As is | 1000 mg |
| P-901145787 | 95 | As is | unavailable |
| P-854867695 | 95 | As is | by synthesis |
| P-859991807 | 95 | As is | by synthesis |
| P-519874652 | 90 | As is | in stock |
| P-888588857 | 94 | As is | by resynthesis (? - ? days) |
| P-611558371 | 90 | As is | in stock |
| P-893791351 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 115.174 |
| logP | 1.6082 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 43.09 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 33.6034 |
| Atoms | 21 |
| Rings | 0 |
| Heavy atoms | 8 |
| Hydrogen atoms | 13 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |
