MCULE-4214835076-0
- 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 | 7 USD | 98 | 14 working days | Get Quote |
| 5 mg | 7 USD | 98 | 14 working days | Get Quote |
| 10 mg | 7 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-4214835076-0.sdf |
| SMILES | MCULE-4214835076-0.smiles |
| Standard InChI | MCULE-4214835076-0.inchi |
| InChIKey | MCULE-4214835076-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867655731 | 98 | As is | in stock |
| P-875823797 | N/A | As is | in stock |
| P-903187819 | 98 | As is | 3 kg |
| P-893584936 | 90 | As is | 72.04 g |
| P-596971318 | 97 | As is | 800 g |
| P-889740372 | 95 | As is | 100 g |
| P-4523632 | 90 | As is | 5 mg |
| P-580301441 | 95 | As is | by resynthesis (? - ? days) |
| P-502468527 | 95 | As is | by synthesis |
| P-503209592 | 90 | As is | by synthesis |
| P-502765669 | 90 | As is | in stock |
| P-488550371 | 90 | As is | in stock |
| P-524187189 | 98 | As is | 5 g |
| P-596603256 | 95 | As is | 100 mg |
| P-579611398 | 95 | As is | 1000 g |
| P-856041224 | 90 | As is | 10 g |
| P-31179193 | 90 | As is | 10 g |
| P-613281437 | 95 | As is | by synthesis |
| P-12355515 | 90 | As is | 649 mg |
| P-454368756 | 92 | As is | in stock |
| P-500406981 | 98 | As is | by synthesis |
| P-885516593 | 95 | As is | by synthesis |
| P-519770777 | 90 | As is | in stock |
| P-454067059 | 90 | As is | 13 mg |
| P-23334622 | 94 | As is | by resynthesis (? - ? days) |
| P-855251822 | 90 | As is | in stock |
| P-3228452 | 90 | As is | 3 mg |
| P-2997925 | 90 | As is | 3 mg |
| P-480999505 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 200.231 |
| logP | 1.5981 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 74.6 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 51.0936 |
| Atoms | 30 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 16 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

