Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4193827138
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 | 118 USD | 95 | 7 working days | Get Quote |
| 5 mg | 195 USD | 98 | 11 working days | Get Quote |
| 10 mg | 260 USD | 80 | 9 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 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-4193827138.sdf |
| SMILES | MCULE-4193827138.smiles |
| Standard InChI | MCULE-4193827138.inchi |
| InChIKey | MCULE-4193827138.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867637453 | 95 | As is | in stock |
| P-875802508 | N/A | As is | in stock |
| P-869373029 | 95 | As is | in stock |
| P-903157505 | N/A | As is | 5 mg |
| P-893590863 | 90 | As is | 133 mg |
| P-851808869 | N/A | As is | by synthesis |
| P-489128012 | 97 | As is | in stock |
| P-25942621 | 70 | As is | 40 mg |
| P-888819494 | N/A | As is | 5 mg |
| P-896026134 | 95 | As is | in stock |
| P-619598043 | 95 | As is | by synthesis |
| P-901558230 | 95 | As is | by synthesis |
| P-852002389 | 98 | As is | in stock |
| P-608495252 | 95 | As is | in stock |
| P-855929110 | 95 | As is | 5 mg |
| P-854690912 | 95 | As is | in stock |
| P-878645211 | 98 | As is | in stock |
| P-516410433 | 80 | As is | 234 mg |
| P-892278220 | 95 | As is | by synthesis |
| P-869179552 | 95 | As is | in stock |
| P-892301407 | 95 | As is | unavailable |
| P-892353942 | 95 | As is | 50 mg |
| P-855344092 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 228.242 |
| logP | 2.9772 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 0 |
| PSA | 39.44 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 66.605 |
| Atoms | 29 |
| Rings | 3 |
| Heavy atoms | 17 |
| Hydrogen atoms | 12 |
| 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 |
