Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2159704561
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-2159704561.sdf |
| SMILES | MCULE-2159704561.smiles |
| Standard InChI | MCULE-2159704561.inchi |
| InChIKey | MCULE-2159704561.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867578376 | 98 | As is | in stock |
| P-875738224 | N/A | As is | in stock |
| P-597028609 | 98 | As is | in stock |
| P-535626885 | 95 | As is | in stock |
| P-505398453 | 98 | As is | in stock |
| P-903068219 | 98 | As is | 223.5 g |
| P-580237539 | 95 | As is | by synthesis |
| P-606904490 | N/A | As is | in stock |
| P-489197560 | 97 | As is | in stock |
| P-596951862 | 98 | As is | 2.5 kg |
| P-494348860 | 95 | As is | 562.1 g |
| P-864106608 | 95 | As is | in stock |
| P-580722392 | 98 | As is | 883 g |
| P-893227560 | 95 | As is | in stock |
| P-851271624 | 95 | As is | by synthesis |
| P-868560841 | 98 | As is | in stock |
| P-580417570 | 95 | As is | by resynthesis (? - ? days) |
| P-905333473 | 99 | As is | 635 g |
| P-454313865 | 95 | As is | 100 mg |
| P-454399640 | 95 | As is | 100 g |
| P-579612967 | 97 | As is | 2 kg |
| P-31258010 | 90 | As is | unavailable |
| P-580488965 | 98 | As is | by synthesis |
| P-852444732 | N/A | As is | in stock |
| P-854731461 | 95 | As is | in stock |
| P-500387867 | 98 | As is | by synthesis |
| P-596763757 | 98 | As is | 1.282 kg |
| P-502370473 | 90 | As is | in stock |
| P-611364320 | 90 | As is | in stock |
| P-575325180 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 263.913 |
| logP | 3.0241 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 17.07 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 47.2295 |
| Atoms | 14 |
| Rings | 1 |
| Heavy atoms | 10 |
| Hydrogen atoms | 4 |
| Heteroatoms | 3 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
