MCULE-4192153951
- 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 | 5 USD | 98 | 14 working days | Get Quote |
| 5 mg | 5 USD | 98 | 14 working days | Get Quote |
| 10 mg | 5 USD | 98 | 14 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-4192153951.sdf |
| SMILES | MCULE-4192153951.smiles |
| Standard InChI | MCULE-4192153951.inchi |
| InChIKey | MCULE-4192153951.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867584766 | 98 | As is | in stock |
| P-875742869 | N/A | As is | in stock |
| P-590390260 | 98 | As is | in stock |
| P-903073790 | 98 | As is | 25 g |
| P-905488196 | 98 | As is | 1000 mg |
| P-901166655 | 98 | As is | in stock |
| P-606880703 | N/A | As is | in stock |
| P-489193755 | 97 | As is | in stock |
| P-596953813 | 98 | As is | 1000 g |
| P-895944356 | 95 | As is | by resynthesis (? - ? days) |
| P-864087708 | 97 | As is | in stock |
| P-580722176 | 98 | As is | 866.5 g |
| P-851245823 | 95 | As is | by synthesis |
| P-868648602 | 98 | As is | in stock |
| P-580406220 | 95 | As is | by resynthesis (? - ? days) |
| P-889112724 | 97 | As is | 3 g |
| P-905333013 | 97 | As is | 145 g |
| P-505529266 | 95 | As is | in stock |
| P-18820171 | 90 | As is | 5.501 g |
| P-454400094 | 90 | As is | 5.501 g |
| P-615646218 | 95 | As is | in stock |
| P-580463233 | N/A | As is | by synthesis |
| P-852521777 | N/A | As is | in stock |
| P-854736625 | 95 | As is | in stock |
| P-888884461 | N/A | As is | in stock |
| P-889879496 | 95 | As is | by synthesis |
| P-596748381 | 98 | As is | 1.7825 kg |
| P-906761905 | 98 | As is | by synthesis |
| P-893945486 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 267.075 |
| logP | 3.0061 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 57.53 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 60.6303 |
| Atoms | 22 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 7 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| 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 |

