Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1223778043-0
Structure
Show compound
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 | 44 USD | 92 | 15 working days | Get Quote |
| 5 mg | 70 USD | 90 | 22 working days | Get Quote |
| 10 mg | 87 USD | 90 | 22 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-1223778043-0.sdf |
| SMILES | MCULE-1223778043-0.smiles |
| Standard InChI | MCULE-1223778043-0.inchi |
| InChIKey | MCULE-1223778043-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1270540598 | 97 | As is | by synthesis |
| P-1268983364 | 95 | As is | by synthesis |
| P-874615509 | 97 | As is | by resynthesis (? - ? days) |
| P-903371677 | 95 | As is | 5 g |
| P-893589466 | 90 | As is | 2 g |
| P-1270321317 | 97 | As is | in stock |
| P-1264202633 | N/A | As is | by synthesis |
| P-865939254 | 95 | As is | 2 g |
| P-1273407018 | 95 | As is | by resynthesis (? - ? days) |
| P-889580874 | 95 | As is | in stock |
| P-1264193339 | 97 | As is | by synthesis |
| P-870588173 | 95 | As is | by synthesis |
| P-1273139835 | 97 | As is | 2 g |
| P-617988178 | 92 | As is | 287 mg |
| P-855959518 | 97 | As is | 100 mg |
| P-895517155 | 95 | As is | by synthesis |
| P-888879282 | N/A | As is | in stock |
| P-868138114 | 90 | As is | in stock |
| P-906850749 | 97 | As is | by synthesis |
| P-578093328 | 90 | As is | 50 mg |
| P-1271705630 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 385.253 |
| logP | 4.0359 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 54.12 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 100.7264 |
| Atoms | 41 |
| Rings | 4 |
| Heavy atoms | 24 |
| Hydrogen atoms | 17 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
