MCULE-4197408041
- 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 | 6 USD | 97 | 14 working days | Get Quote |
| 5 mg | 6 USD | 97 | 14 working days | Get Quote |
| 10 mg | 6 USD | 97 | 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-4197408041.sdf |
| SMILES | MCULE-4197408041.smiles |
| Standard InChI | MCULE-4197408041.inchi |
| InChIKey | MCULE-4197408041.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867662267 | 97 | As is | in stock |
| P-875831141 | 97 | As is | in stock |
| P-1275154572 | 95 | As is | in stock |
| P-1275174823 | 98 | As is | in stock |
| P-903206992 | 97 | As is | 600 g |
| P-905481785 | 98 | As is | 100 g |
| P-893557356 | 90 | As is | in stock |
| P-1270306846 | 97 | As is | in stock |
| P-608436819 | 95 | As is | 5 g |
| P-606895523 | N/A | As is | in stock |
| P-489156110 | 97 | As is | in stock |
| P-596973095 | 97 | As is | 2.4 kg |
| P-1275495990 | 95 | As is | 12 g |
| P-864088253 | 97 | As is | in stock |
| P-580709367 | 97 | As is | 208 g |
| P-893228817 | 95 | As is | in stock |
| P-851282238 | 95 | As is | by synthesis |
| P-868577823 | 98 | As is | in stock |
| P-580279419 | 95 | As is | by resynthesis (? - ? days) |
| P-861978117 | 97 | As is | 2.43782 kg |
| P-889113394 | 97 | As is | 6.82 g |
| P-905334740 | 97 | As is | 115 g |
| P-494300650 | 98 | As is | in stock |
| P-505515184 | 95 | As is | in stock |
| P-492239659 | 95 | As is | in stock |
| P-454412157 | 97 | As is | 77.396 g |
| P-454342890 | 97 | As is | 77.396 g |
| P-580509495 | 97 | As is | by synthesis |
| P-852425629 | N/A | As is | by synthesis |
| P-1272574983 | N/A | As is | in stock |
| P-854734049 | 95 | As is | in stock |
| P-500371209 | 98 | As is | by synthesis |
| P-889872766 | 95 | As is | by synthesis |
| P-596774794 | 97 | As is | 489.7 g |
| P-502332739 | 90 | As is | in stock |
| P-906907515 | 99 | As is | in stock |
| P-611429010 | 90 | As is | in stock |
| P-580449279 | 97 | As is | in stock |
| P-615655561 | 95 | As is | unavailable |
| P-1279177294 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 150.174 |
| logP | 1.8215 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 37.3 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 43.7845 |
| Atoms | 21 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 10 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |

