MCULE-4829436851
- 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 | N/A | 9 working days | Get Quote |
| 5 mg | 19 USD | N/A | 9 working days | Get Quote |
| 10 mg | 26 USD | 98 | 11 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-4829436851.sdf |
| SMILES | MCULE-4829436851.smiles |
| Standard InChI | MCULE-4829436851.inchi |
| InChIKey | MCULE-4829436851.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867672478 | 98 | As is | in stock |
| P-875847174 | N/A | As is | in stock |
| P-611622287 | 98 | As is | in stock |
| P-903225072 | 98 | As is | 3 g |
| P-889752212 | N/A | As is | in stock |
| P-865928544 | 98 | As is | 3 g |
| P-896030528 | 95 | As is | in stock |
| P-900154654 | 95 | As is | in stock |
| P-900268846 | N/A | As is | by resynthesis (? - ? days) |
| P-893220332 | 95 | As is | in stock |
| P-852001579 | 98 | As is | in stock |
| P-578049325 | 98 | As is | in stock |
| P-887321734 | 95 | As is | by synthesis |
| P-608220843 | 98 | As is | in stock |
| P-13912873 | 90 | As is | 7 mg |
| P-524164281 | 98 | As is | 100 mg |
| P-855920759 | 95 | As is | 100 mg |
| P-579615190 | 98 | As is | 5 g |
| P-895170807 | 95 | As is | in stock |
| P-871075338 | 95 | As is | in stock |
| P-878640202 | 98 | As is | in stock |
| P-878641579 | 98 | As is | in stock |
| P-885543030 | 95 | As is | by synthesis |
| P-675132631 | 90 | As is | in stock |
| P-892237323 | 95 | As is | by synthesis |
| P-869176263 | 95 | As is | in stock |
| P-892292778 | 95 | As is | 1.339 g |
| P-892327609 | 95 | As is | 1.339 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 288.294 |
| logP | 2.1204 |
| H-bond acceptors | 5 |
| H-bond donors | 3 |
| Rotatable bonds | 3 |
| PSA | 94.83 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 77.8188 |
| Atoms | 37 |
| Rings | 2 |
| Heavy atoms | 21 |
| Hydrogen atoms | 16 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

