Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2149740837
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 | 18 USD | 95 | 20 working days | Get Quote |
| 5 mg | 18 USD | 95 | 20 working days | Get Quote |
| 10 mg | 18 USD | 95 | 20 working days | Get Quote |
- 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-2149740837.sdf |
| SMILES | MCULE-2149740837.smiles |
| Standard InChI | MCULE-2149740837.inchi |
| InChIKey | MCULE-2149740837.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867629150 | 97 | As is | in stock |
| P-875792691 | 97 | As is | in stock |
| P-590391432 | 97 | As is | by resynthesis (? - ? days) |
| P-903144009 | 97 | As is | 5 g |
| P-893505739 | 90 | As is | 79.34 g |
| P-1270389656 | 97 | As is | in stock |
| P-580240543 | 95 | As is | by synthesis |
| P-875894323 | 95 | As is | in stock |
| P-606868279 | N/A | As is | in stock |
| P-489193452 | 97 | As is | in stock |
| P-596966017 | 95 | As is | 5 g |
| P-589657500 | 95 | As is | by resynthesis (? - ? days) |
| P-864105445 | 95 | As is | in stock |
| P-580716749 | 97 | As is | 2.35 g |
| P-851240344 | 95 | As is | by synthesis |
| P-861268007 | 95 | As is | in stock |
| P-868596986 | 97 | As is | in stock |
| P-580436947 | 95 | As is | by resynthesis (? - ? days) |
| P-905339061 | 95 | As is | 2 g |
| P-862000601 | 95 | As is | 4.144 g |
| P-500155691 | 96 | As is | in stock |
| P-524187865 | 95 | As is | 250 mg |
| P-1272596808 | 95 | As is | 5 g |
| P-852519859 | 95 | As is | by synthesis |
| P-854747901 | 95 | As is | in stock |
| P-888865224 | N/A | As is | in stock |
| P-873283535 | N/A | As is | in stock |
| P-596774226 | 97 | As is | 7.1 g |
| P-906783475 | 97 | As is | by synthesis |
| P-611570369 | 90 | As is | in stock |
| P-615634332 | 95 | As is | unavailable |
| P-1271635000 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 161.157 |
| logP | 1.686 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 53.09 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 45.7092 |
| Atoms | 19 |
| Rings | 2 |
| Heavy atoms | 12 |
| Hydrogen atoms | 7 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |
