Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1914803825
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 | 62 USD | 95 | 7 working days | Get Quote |
| 5 mg | 126 USD | N/A | 14 working days | Get Quote |
| 10 mg | 182 USD | 98 | 11 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-1914803825.sdf |
| SMILES | MCULE-1914803825.smiles |
| Standard InChI | MCULE-1914803825.inchi |
| InChIKey | MCULE-1914803825.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875802381 | N/A | As is | in stock |
| P-875803472 | N/A | As is | in stock |
| P-903157652 | 98 | As is | 3 mg |
| P-903159613 | 99 | As is | 15 mg |
| P-860054631 | 98 | As is | by synthesis |
| P-868955072 | 99 | As is | 7 mg |
| P-590798667 | 98 | As is | by synthesis |
| P-452658009 | 98 | As is | in stock |
| P-887203003 | 95 | As is | by synthesis |
| P-874452669 | 95 | As is | in stock |
| P-854692802 | 95 | As is | in stock |
| P-878643476 | 98 | As is | in stock |
| P-867637139 | 98 | As an isomer | in stock |
| P-867638016 | 98 | As an isomer | in stock |
| P-874622598 | 97 | As an isomer | in stock |
| P-853443390 | 95 | As an isomer | in stock |
| P-1264056535 | 95 | As an isomer | in stock |
| P-904326403 | 90 | As an isomer | 420 mg |
| P-893523939 | 90 | As an isomer | 605 mg |
| P-580236266 | 95 | As an isomer | by synthesis |
| P-851512667 | N/A | As an isomer | by synthesis |
| P-867710198 | N/A | As an isomer | in stock |
| P-875890689 | 98 | As an isomer | 20 mg |
| P-888819533 | 98 | As an isomer | 10 mg |
| P-864250316 | 90 | As an isomer | by synthesis |
| P-901467210 | 95 | As an isomer | by synthesis |
| P-675218264 | 95 | As an isomer | in stock |
| P-873243946 | 97 | As an isomer | 10 mg |
| P-590490305 | 80 | As an isomer | unavailable |
| P-869144017 | 95 | As an isomer | by synthesis |
| P-892277685 | 95 | As an isomer | by synthesis |
| P-892302972 | 95 | As an isomer | in stock |
| P-869179328 | 95 | As an isomer | in stock |
| P-892301248 | 95 | As an isomer | unavailable |
| P-892292945 | 95 | As an isomer | unavailable |
| P-892353536 | 95 | As an isomer | 50 mg |
| P-888647929 | 95 | As an isomer | 63 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 322.353 |
| logP | 4.1781 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 66.76 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 94.4155 |
| Atoms | 42 |
| Rings | 3 |
| Heavy atoms | 24 |
| Hydrogen atoms | 18 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
