MCULE-2950713727-0
- 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 | 95 | 20 working days | Get Quote |
| 5 mg | 9 USD | 95 | 20 working days | Get Quote |
| 10 mg | 9 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.
-
1
MCULE-3707330245-0
- Component type: Main
-
1
MCULE-5932450224-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2950713727-0.sdf |
| SMILES | MCULE-2950713727-0.smiles |
| Standard InChI | MCULE-2950713727-0.inchi |
| InChIKey | MCULE-2950713727-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875743533 | 97 | As is | in stock |
| P-903073719 | 95 | As is | 600 g |
| P-619150080 | 95 | As is | 600 g |
| P-1273449868 | 95 | As is | by resynthesis (? - ? days) |
| P-864195972 | 95 | As is | in stock |
| P-901450496 | 95 | As is | by synthesis |
| P-1264361717 | 95 | As is | 100 g |
| P-617818410 | 92 | As is | 135 mg |
| P-855912106 | 97 | As is | 25 g |
| P-901009805 | 95 | As is | in stock |
| P-885536512 | 95 | As is | by synthesis |
| P-675131085 | 90 | As is | in stock |
| P-855360057 | 90 | As is | in stock |
| P-617791157 | 90 | As is | 30 mg |
| P-666975228 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 202.384 |
| logP | 2.025 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 5 |
| PSA | 41.32 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 46.14 |
| Atoms | 21 |
| Rings | 0 |
| Heavy atoms | 10 |
| Hydrogen atoms | 11 |
| Heteroatoms | 4 |
| N/O atoms | 1 |
| Inorganic atoms | 1 |
| 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 |

