Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2126498393
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 | 19 USD | 98 | 8 working days | Get Quote |
| 5 mg | 19 USD | 98 | 8 working days | Get Quote |
| 10 mg | 19 USD | 98 | 8 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-2126498393.sdf |
| SMILES | MCULE-2126498393.smiles |
| Standard InChI | MCULE-2126498393.inchi |
| InChIKey | MCULE-2126498393.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867556850 | 95 | As is | in stock |
| P-875716696 | N/A | As is | in stock |
| P-590401874 | 95 | As is | in stock |
| P-903045001 | 98 | As is | 50 g |
| P-893560081 | 90 | As is | 236.001 g |
| P-875903921 | N/A | As is | in stock |
| P-489105875 | 97 | As is | in stock |
| P-596991958 | 98 | As is | 75 g |
| P-494331006 | 95 | As is | by resynthesis (? - ? days) |
| P-889561420 | 95 | As is | in stock |
| P-873435590 | 98 | As is | 1.25 g |
| P-901559077 | 95 | As is | by synthesis |
| P-851252227 | 95 | As is | by synthesis |
| P-861275363 | 95 | As is | in stock |
| P-868593586 | 98 | As is | in stock |
| P-580430069 | 95 | As is | by resynthesis (? - ? days) |
| P-861954743 | 95 | As is | 120.838 g |
| P-502494778 | 95 | As is | by synthesis |
| P-596569470 | 95 | As is | 250 mg |
| P-613277936 | 95 | As is | by synthesis |
| P-852393397 | N/A | As is | in stock |
| P-519752855 | 97 | As is | 18.7 g |
| P-872522780 | 95 | As is | in stock |
| P-888897187 | N/A | As is | in stock |
| P-889864977 | 95 | As is | by synthesis |
| P-519837051 | 90 | As is | in stock |
| P-502403078 | 90 | As is | in stock |
| P-906824188 | 98 | As is | by synthesis |
| P-611364941 | 90 | As is | in stock |
| P-667019378 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 225.038 |
| logP | 3.0078 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 30.21 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 49.3015 |
| Atoms | 17 |
| Rings | 2 |
| Heavy atoms | 12 |
| Hydrogen atoms | 5 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| 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 |
