MCULE-9226495081-1
- 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 | 9 USD | 98 | 20 working days | Get Quote |
| 5 mg | 9 USD | 98 | 20 working days | Get Quote |
| 10 mg | 9 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.
-
MCULE-9301781478-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-9226495081-1.sdf |
| SMILES | MCULE-9226495081-1.smiles |
| Standard InChI | MCULE-9226495081-1.inchi |
| InChIKey | MCULE-9226495081-1.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886632058 | 98 | As is | in stock |
| P-890162647 | 98 | As is | in stock |
| P-869333032 | 95 | As is | by resynthesis (? - ? days) |
| P-853434411 | 95 | As is | by resynthesis (? - ? days) |
| P-1264600351 | 98 | As is | 1000 mg |
| P-851544341 | N/A | As is | by synthesis |
| P-851612450 | N/A | As is | by synthesis |
| P-1271972901 | 98 | As is | 1000 mg |
| P-1273455150 | 95 | As is | by resynthesis (? - ? days) |
| P-590841102 | 95 | As is | by synthesis |
| P-502459949 | 95 | As is | by synthesis |
| P-885518577 | 95 | As is | by synthesis |
| P-867561018 | 98 | As a main component | in stock |
| P-875720824 | 98 | As a main component | in stock |
| P-872724766 | 98 | As a main component | in stock |
| P-893591372 | 90 | As a main component | 111.845 g |
| P-606865585 | N/A | As a main component | in stock |
| P-596945133 | 98 | As a main component | 100 g |
| P-872868196 | 98 | As a main component | in stock |
| P-617651597 | 90 | As a main component | in stock |
| P-584603694 | 95 | As a main component | in stock |
| P-617323405 | 90 | As a main component | in stock |
| P-851278433 | 95 | As a main component | by synthesis |
| P-580450298 | 99 | As a main component | in stock |
| P-862029111 | 98 | As a main component | 3.472 g |
| P-905345883 | 98 | As a main component | 5 g |
| P-505507871 | 95 | As a main component | in stock |
| P-31257559 | 90 | As a main component | 2 g |
| P-1272599408 | N/A | As a main component | 75 g |
| P-852532439 | N/A | As a main component | by synthesis |
| P-854718322 | 95 | As a main component | in stock |
| P-896625813 | 95 | As a main component | by synthesis |
| P-474024008 | 95 | As a main component | in stock |
| P-608274744 | 98 | As a main component | in stock |
| P-1263959319 | 90 | As a main component | in stock |
| P-675098342 | 90 | As a main component | in stock |
| P-873225432 | 90 | As a main component | in stock |
| P-855011968 | 90 | As a main component | in stock |
| P-855011967 | 90 | As a main component | in stock |
| P-1271695367 | 98 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 160.176 |
| logP | 1.6887 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 63.83 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 46.7441 |
| Atoms | 20 |
| Rings | 2 |
| Heavy atoms | 12 |
| Hydrogen atoms | 8 |
| 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 |

