Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2539227584
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 | 104 USD | 90 | 27 working days | Get Quote |
| 5 mg | 117 USD | 90 | 27 working days | Get Quote |
| 10 mg | 137 USD | 90 | 27 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-2539227584.sdf |
| SMILES | MCULE-2539227584.smiles |
| Standard InChI | MCULE-2539227584.inchi |
| InChIKey | MCULE-2539227584.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867371394 | 95 | As is | by synthesis |
| P-901294777 | N/A | As is | in stock |
| P-894630106 | 95 | As is | in stock |
| P-903312834 | 95 | As is | 17 g |
| P-893561643 | 90 | As is | 48.1 g |
| P-580214116 | 95 | As is | by synthesis |
| P-851807853 | N/A | As is | by synthesis |
| P-881116061 | 95 | As is | 15 g |
| P-869407503 | 95 | As is | by synthesis |
| P-591104535 | 95 | As is | by synthesis |
| P-861405837 | 95 | As is | by synthesis |
| P-502902269 | 90 | As is | in stock |
| P-492226247 | 95 | As is | in stock |
| P-860792356 | 95 | As is | by synthesis |
| P-854823769 | 95 | As is | by synthesis |
| P-856069689 | 95 | As is | in stock |
| P-19698634 | 90 | As is | in stock |
| P-535719353 | N/A | As is | in stock |
| P-33969982 | 90 | As is | in stock |
| P-886928770 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 154.181 |
| logP | 2.1874 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 20.23 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 42.3008 |
| Atoms | 22 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 11 |
| Heteroatoms | 2 |
| N/O atoms | 1 |
| 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 |
