Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1776877276
Compound
Show structure
In order to add this molecule to a collection you have to create an account.
Sign up for free
- 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 | 98 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 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.
-
MCULE-4815747676
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-1776877276.sdf |
| SMILES | MCULE-1776877276.smiles |
| Standard InChI | MCULE-1776877276.inchi |
| InChIKey | MCULE-1776877276.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867566012 | 98 | As is | in stock |
| P-875725471 | 98 | As is | in stock |
| P-1275175956 | 98 | As is | in stock |
| P-1275147309 | 95 | As is | in stock |
| P-872727447 | 98 | As is | in stock |
| P-903054764 | 98 | As is | 1.5 kg |
| P-596947109 | 98 | As is | 6.9 kg |
| P-1275495204 | 95 | As is | 3 kg |
| P-1273455296 | 95 | As is | by resynthesis (? - ? days) |
| P-864161570 | 95 | As is | in stock |
| P-1263295361 | 95 | As is | 300 g |
| P-901464971 | 95 | As is | by synthesis |
| P-901559716 | 95 | As is | by synthesis |
| P-34912234 | 90 | As is | in stock |
| P-868584185 | 98 | As is | in stock |
| P-905358889 | 98 | As is | 75 g |
| P-905427882 | 98 | As is | 103.485 kg |
| P-500418274 | 98 | As is | in stock |
| P-588718338 | 90 | As is | 1.138 g |
| P-31212789 | 90 | As is | unavailable |
| P-613282646 | 95 | As is | by synthesis |
| P-852510099 | 95 | As is | by synthesis |
| P-854692729 | 95 | As is | in stock |
| P-1263159391 | 95 | As is | in stock |
| P-584627106 | 95 | As is | in stock |
| P-608275699 | 98 | As is | in stock |
| P-492279828 | 90 | As is | 2 g |
| P-26433474 | 90 | As is | 2 g |
| P-889869141 | 95 | As is | by synthesis |
| P-519981180 | 90 | As is | in stock |
| P-579711897 | 98 | As is | in stock |
| P-869175310 | 95 | As is | in stock |
| P-892286147 | 95 | As is | unavailable |
| P-464618778 | 95 | As is | 391.158 g |
| P-892309711 | 95 | As is | 391.156 g |
| P-888578254 | 94 | As is | by resynthesis (? - ? days) |
| P-906904251 | 99 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 89.093 |
| logP | 0.8019 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 52.32 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 20.9164 |
| Atoms | 13 |
| Rings | 0 |
| Heavy atoms | 6 |
| Hydrogen atoms | 7 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |
