Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4307728425
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 | 14 USD | 98 | 20 working days | Get Quote |
| 5 mg | 14 USD | 98 | 20 working days | Get Quote |
| 10 mg | 14 USD | 98 | 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-4307728425.sdf |
| SMILES | MCULE-4307728425.smiles |
| Standard InChI | MCULE-4307728425.inchi |
| InChIKey | MCULE-4307728425.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867642954 | 98 | As is | in stock |
| P-875809461 | 98 | As is | in stock |
| P-903168419 | 98 | As is | 500 g |
| P-893567422 | 90 | As is | 2.4061 kg |
| P-1270293201 | 97 | As is | in stock |
| P-580205897 | 95 | As is | by synthesis |
| P-851936857 | N/A | As is | in stock |
| P-606899917 | N/A | As is | in stock |
| P-596969389 | 98 | As is | 700 g |
| P-895925538 | 95 | As is | by resynthesis (? - ? days) |
| P-864166502 | 95 | As is | in stock |
| P-889032439 | 98 | As is | in stock |
| P-1275224583 | 98 | As is | 30 g |
| P-862091740 | 98 | As is | 893.8 g |
| P-524199992 | 95 | As is | 5 g |
| P-872795574 | 95 | As is | in stock |
| P-888881865 | N/A | As is | in stock |
| P-535661136 | 97 | As is | in stock |
| P-873284741 | N/A | As is | in stock |
| P-611455583 | 90 | As is | in stock |
| P-615654236 | 95 | As is | unavailable |
| P-1271639120 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 198.644 |
| logP | 2.8251 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 26.3 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 52.5045 |
| Atoms | 24 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 11 |
| 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 |
