Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1752553253
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 | 6 USD | 98 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 USD | 98 | 14 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-1752553253.sdf |
| SMILES | MCULE-1752553253.smiles |
| Standard InChI | MCULE-1752553253.inchi |
| InChIKey | MCULE-1752553253.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867656648 | 98 | As is | in stock |
| P-875824602 | N/A | As is | in stock |
| P-869182726 | 98 | As is | in stock |
| P-505354008 | 99 | As is | in stock |
| P-903196856 | 98 | As is | 32 kg |
| P-905483225 | 98 | As is | 1000 g |
| P-617061698 | N/A | As is | in stock |
| P-606833255 | N/A | As is | in stock |
| P-596971375 | 99 | As is | 11 kg |
| P-896029833 | 95 | As is | in stock |
| P-580697570 | 98 | As is | 8.95 kg |
| P-893223694 | 95 | As is | in stock |
| P-868611660 | 98 | As is | in stock |
| P-905353194 | 98 | As is | 6.6 kg |
| P-870662943 | 98 | As is | in stock |
| P-502767622 | 90 | As is | in stock |
| P-492243857 | 95 | As is | in stock |
| P-855924628 | 97 | As is | 1000 g |
| P-855995054 | 97 | As is | 1.009 g |
| P-579624042 | 98 | As is | 1000 g |
| P-31141890 | 90 | As is | unavailable |
| P-856044584 | 90 | As is | unavailable |
| P-613284680 | 95 | As is | by synthesis |
| P-580504057 | N/A | As is | by synthesis |
| P-852504958 | N/A | As is | in stock |
| P-1263697393 | 95 | As is | by synthesis |
| P-854730070 | 95 | As is | in stock |
| P-889862424 | 95 | As is | by synthesis |
| P-896080598 | N/A | As is | 7.514 g |
| P-869125320 | 95 | As is | by synthesis |
| P-888638920 | 95 | As is | 99.997 g |
| P-502400323 | 90 | As is | in stock |
| P-23334792 | 94 | As is | by resynthesis (? - ? days) |
| P-906759540 | 99 | As is | by synthesis |
| P-611377710 | 90 | As is | in stock |
| P-611504705 | 90 | As is | in stock |
| P-893995183 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 210.227 |
| logP | 2.7522 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 34.14 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 61.545 |
| Atoms | 26 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 10 |
| 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 |
