Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2272420776-0
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 | 7 USD | 95 | 20 working days | Get Quote |
| 5 mg | 7 USD | 95 | 20 working days | Get Quote |
| 10 mg | 7 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.
-
MCULE-1266805897-1
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2272420776-0.sdf |
| SMILES | MCULE-2272420776-0.smiles |
| Standard InChI | MCULE-2272420776-0.inchi |
| InChIKey | MCULE-2272420776-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1275193486 | 98 | As is | in stock |
| P-901164901 | 98 | As is | in stock |
| P-856054018 | 95 | As is | by synthesis |
| P-489164172 | 97 | As is | in stock |
| P-596940555 | 95 | As is | 1000 g |
| P-864089021 | 97 | As is | in stock |
| P-893250839 | 95 | As is | by synthesis |
| P-577155398 | 90 | As is | by synthesis |
| P-449239570 | 90 | As is | 327.995 g |
| P-436454575 | 95 | As is | in stock |
| P-578612022 | 90 | As is | in stock |
| P-868646329 | 97 | As is | in stock |
| P-579798799 | 90 | As is | in stock |
| P-889113745 | 95 | As is | 42.8 g |
| P-502455384 | 95 | As is | by synthesis |
| P-492215848 | 95 | As is | in stock |
| P-502738571 | 90 | As is | in stock |
| P-579618316 | 95 | As is | in stock |
| P-1272571758 | N/A | As is | 1000 g |
| P-852408632 | N/A | As is | by synthesis |
| P-26550724 | 90 | As is | 500 mg |
| P-13734862 | 92 | As is | 300 mg |
| P-491096594 | 95 | As is | by synthesis |
| P-596745690 | 98 | As is | 1.4756 kg |
| P-1274337395 | 95 | As is | unavailable |
| P-1274349305 | 95 | As is | 991 mg |
| P-1274359616 | 95 | As is | 991 mg |
| P-502331167 | 90 | As is | in stock |
| P-1272898257 | 94 | As is | by resynthesis (? - ? days) |
| P-1271264406 | 97 | As is | by synthesis |
| P-868738642 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 162.145 |
| logP | 1.2611 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 65.98 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 43.053 |
| Atoms | 18 |
| Rings | 2 |
| Heavy atoms | 12 |
| Hydrogen atoms | 6 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
