MCULE-2856865842
- 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 | 20 USD | 96 | 8 working days | Get Quote |
| 5 mg | 20 USD | 96 | 8 working days | Get Quote |
| 10 mg | 20 USD | 96 | 8 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-2674281663
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2856865842.sdf |
| SMILES | MCULE-2856865842.smiles |
| Standard InChI | MCULE-2856865842.inchi |
| InChIKey | MCULE-2856865842.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867582979 | 96 | As is | in stock |
| P-875742388 | 96 | As is | in stock |
| P-872722477 | 98 | As is | in stock |
| P-903072904 | 96 | As is | 100 g |
| P-1264051671 | 98 | As is | in stock |
| P-893543732 | 90 | As is | 992.1 g |
| P-1270273017 | 96 | As is | in stock |
| P-617068097 | 95 | As is | in stock |
| P-606952150 | N/A | As is | in stock |
| P-596953527 | 98 | As is | 500 g |
| P-1273456435 | 95 | As is | by resynthesis (? - ? days) |
| P-866726193 | 95 | As is | 29.6 g |
| P-864164721 | 95 | As is | in stock |
| P-590638096 | 96 | As is | 60 g |
| P-893229707 | 95 | As is | in stock |
| P-893229810 | 95 | As is | in stock |
| P-851241072 | 95 | As is | by synthesis |
| P-868579276 | 96 | As is | in stock |
| P-1264369413 | 98 | As is | 19 g |
| P-500417504 | 98 | As is | in stock |
| P-505491176 | 95 | As is | in stock |
| P-502528942 | 95 | As is | by synthesis |
| P-1273108646 | 98 | As is | 100 mg |
| P-580514302 | 98 | As is | in stock |
| P-1272585418 | 95 | As is | 75 g |
| P-852459246 | 95 | As is | by synthesis |
| P-1263155864 | 95 | As is | by synthesis |
| P-854716684 | 95 | As is | in stock |
| P-878643528 | 98 | As is | in stock |
| P-885549770 | 95 | As is | by synthesis |
| P-873223610 | 90 | As is | in stock |
| P-855105252 | 90 | As is | in stock |
| P-893993754 | 96 | As is | in stock |
| P-1267092810 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 174.087 |
| logP | -1.0995 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 1 |
| PSA | 103.02 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 34.6007 |
| Atoms | 15 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 3 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| 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 |

