Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2161848745
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 | 7 USD | 99 | 14 working days | Get Quote |
| 5 mg | 7 USD | 99 | 14 working days | Get Quote |
| 10 mg | 7 USD | 99 | 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-2161848745.sdf |
| SMILES | MCULE-2161848745.smiles |
| Standard InChI | MCULE-2161848745.inchi |
| InChIKey | MCULE-2161848745.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875706650 | N/A | As is | in stock |
| P-505347069 | 99 | As is | in stock |
| P-881671143 | 97 | As is | in stock |
| P-903032198 | 99 | As is | 700 g |
| P-606945257 | N/A | As is | in stock |
| P-597008888 | 99 | As is | 600 g |
| P-579786318 | 95 | As is | by resynthesis (? - ? days) |
| P-864185345 | 95 | As is | in stock |
| P-605423596 | 99 | As is | 30 g |
| P-901423248 | 95 | As is | by synthesis |
| P-517097748 | 90 | As is | in stock |
| P-868606188 | 98 | As is | in stock |
| P-580444369 | 95 | As is | by resynthesis (? - ? days) |
| P-889358389 | 99 | As is | 963.06 g |
| P-905357420 | 99 | As is | 10 g |
| P-18788576 | 95 | As is | 11.973 g |
| P-454379344 | 95 | As is | 11.973 g |
| P-852415266 | N/A | As is | in stock |
| P-895896453 | 95 | As is | in stock |
| P-632853462 | 90 | As is | by synthesis |
| P-889868134 | 95 | As is | by synthesis |
| P-502392734 | 90 | As is | in stock |
| P-888593140 | 94 | As is | by resynthesis (? - ? days) |
| P-906879575 | 99 | As is | by synthesis |
| P-611359291 | 90 | As is | in stock |
| P-615402659 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 161.200 |
| logP | 2.2742 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 29.1 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 49.8947 |
| Atoms | 23 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 11 |
| 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 |
