MCULE-3512469357
- 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 | 36 USD | 95 | 26 working days | Get Quote |
| 5 mg | 36 USD | 95 | 26 working days | Get Quote |
| 10 mg | 41 USD | 95 | 26 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.
| Name | File |
|---|---|
| SDF | MCULE-3512469357.sdf |
| SMILES | MCULE-3512469357.smiles |
| Standard InChI | MCULE-3512469357.inchi |
| InChIKey | MCULE-3512469357.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867306992 | 95 | As is | by synthesis |
| P-889929182 | N/A | As is | by synthesis |
| P-894648369 | 95 | As is | in stock |
| P-851519542 | N/A | As is | by synthesis |
| P-901347202 | 95 | As is | by synthesis |
| P-590861020 | 95 | As is | by synthesis |
| P-6326569 | 90 | As is | 5 mg |
| P-454757034 | 90 | As is | in stock |
| P-454691372 | 90 | As is | in stock |
| P-619342592 | 90 | As is | 51 mg |
| P-436446082 | 95 | As is | 10 g |
| P-20021507 | 90 | As is | in stock |
| P-861533266 | 95 | As is | by synthesis |
| P-34822416 | 90 | As is | in stock |
| P-580776798 | 90 | As is | by resynthesis (? - ? days) |
| P-580766143 | 90 | As is | in stock |
| P-596590495 | 90 | As is | 5 g |
| P-580478433 | N/A | As is | by synthesis |
| P-852396755 | N/A | As is | in stock |
| P-854839640 | 95 | As is | by synthesis |
| P-856063850 | 95 | As is | in stock |
| P-23885154 | 90 | As is | in stock |
| P-12809106 | 90 | As is | 70 mg |
| P-33466075 | 90 | As is | in stock |
| P-502342835 | 90 | As is | in stock |
| P-888493394 | 94 | As is | by resynthesis (? - ? days) |
| P-855238645 | 90 | As is | in stock |
| P-3235014 | 90 | As is | 2.992 g |
| P-1231575 | 90 | As is | 2.992 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 309.315 |
| logP | 3.6172 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 68.65 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 87.1223 |
| Atoms | 38 |
| Rings | 3 |
| Heavy atoms | 23 |
| Hydrogen atoms | 15 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 |

