Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2759962605
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 | 40 USD | 90 | 22 working days | Get Quote |
| 5 mg | 58 USD | 90 | 22 working days | Get Quote |
| 10 mg | 65 USD | 95 | 11 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-2759962605.sdf |
| SMILES | MCULE-2759962605.smiles |
| Standard InChI | MCULE-2759962605.inchi |
| InChIKey | MCULE-2759962605.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886644193 | 95 | As is | in stock |
| P-901283255 | N/A | As is | in stock |
| P-869349520 | 95 | As is | in stock |
| P-903203420 | 95 | As is | 2.5 g |
| P-851750887 | N/A | As is | by synthesis |
| P-889808721 | 95 | As is | by synthesis |
| P-591095648 | 95 | As is | by synthesis |
| P-901494842 | 95 | As is | by synthesis |
| P-454686593 | 90 | As is | in stock |
| P-15154009 | 90 | As is | 19 mg |
| P-436443895 | 90 | As is | 17.515 g |
| P-339650 | 90 | As is | 492 mg |
| P-868650687 | 95 | As is | in stock |
| P-34729273 | 90 | As is | in stock |
| P-580788396 | 90 | As is | by resynthesis (? - ? days) |
| P-502509524 | 95 | As is | by synthesis |
| P-855942909 | 95 | As is | 5 g |
| P-491226536 | 95 | As is | by synthesis |
| P-24065370 | 90 | As is | in stock |
| P-22625320 | 90 | As is | in stock |
| P-502337942 | 90 | As is | in stock |
| P-611608331 | 90 | As is | in stock |
| P-1876461 | 90 | As is | 110 mg |
| P-893835619 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 224.642 |
| logP | 2.484 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 48.15 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 55.988 |
| Atoms | 24 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 9 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| 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 |
