MCULE-5769719283-1
- 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 | 40 USD | 90 | 22 working days | Get Quote |
| 5 mg | 58 USD | 90 | 22 working days | Get Quote |
| 10 mg | 65 USD | 97 | 11 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-9163385975-1
- Component type: Main
-
MCULE-9525976268-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5769719283-1.sdf |
| SMILES | MCULE-5769719283-1.smiles |
| Standard InChI | MCULE-5769719283-1.inchi |
| InChIKey | MCULE-5769719283-1.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875703323 | N/A | As is | in stock |
| P-868963250 | N/A | As is | in stock |
| P-896040145 | 95 | As is | by synthesis |
| P-868957001 | 95 | As is | 4.045 g |
| P-851288471 | 95 | As is | by synthesis |
| P-868595372 | 95 | As is | in stock |
| P-580296266 | 95 | As is | by resynthesis (? - ? days) |
| P-502449197 | 95 | As is | by synthesis |
| P-502724716 | 90 | As is | in stock |
| P-492215169 | 95 | As is | in stock |
| P-500176916 | 96 | As is | in stock |
| P-579658134 | 95 | As is | by resynthesis (? - ? days) |
| P-613278688 | 95 | As is | by synthesis |
| P-588254845 | N/A | As is | by synthesis |
| P-864066659 | 95 | As is | by synthesis |
| P-903955881 | 94 | As is | by resynthesis (? - ? days) |
| P-903955670 | 94 | As is | by resynthesis (? - ? days) |
| P-611385109 | 90 | As is | in stock |
| P-611542756 | 90 | As is | in stock |
| P-667011197 | 95 | As is | in stock |
| P-597017208 | 97 | As a main component | in stock |
| P-904553309 | 95 | As a main component | in stock |
| P-893454928 | 90 | As a main component | 21.076 g |
| P-866097030 | 95 | As a main component | 11.3 g |
| P-851887101 | N/A | As a main component | by synthesis |
| P-494345758 | 95 | As a main component | 3.5 g |
| P-864264209 | 97 | As a main component | by synthesis |
| P-591141358 | 97 | As a main component | by synthesis |
| P-674290668 | 90 | As a main component | in stock |
| P-675059697 | 90 | As a main component | in stock |
| P-851288470 | 95 | As a main component | by synthesis |
| P-868644041 | 97 | As a main component | in stock |
| P-34526855 | 90 | As a main component | in stock |
| P-500177638 | 96 | As a main component | in stock |
| P-856005080 | 90 | As a main component | 8.383 g |
| P-855908968 | 90 | As a main component | 8.383 g |
| P-601075489 | 90 | As a main component | 11.07 g |
| P-25841316 | 95 | As a main component | 11.07 g |
| P-852499077 | N/A | As a main component | in stock |
| P-895267573 | 95 | As a main component | by synthesis |
| P-502404343 | 90 | As a main component | in stock |
| P-873216062 | 90 | As a main component | in stock |
| P-611385110 | 90 | As a main component | in stock |
| P-617762424 | 90 | As a main component | 8.728 g |
| P-617713834 | 90 | As a main component | 8.728 g |
| P-615465679 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 159.188 |
| logP | 2.2937 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 50.94 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 48.9491 |
| Atoms | 21 |
| Rings | 2 |
| Heavy atoms | 12 |
| Hydrogen atoms | 9 |
| 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 |

