Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5620064525
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 | 13 USD | 98 | 11 working days | Get Quote |
| 5 mg | 13 USD | 98 | 11 working days | Get Quote |
| 10 mg | 13 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-5620064525.sdf |
| SMILES | MCULE-5620064525.smiles |
| Standard InChI | MCULE-5620064525.inchi |
| InChIKey | MCULE-5620064525.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-905480682 | 98 | As is | 100 g |
| P-866725122 | 95 | As is | 728 g |
| P-871221876 | N/A | As is | by resynthesis (? - ? days) |
| P-452661196 | 98 | As is | in stock |
| P-868610527 | 97 | As is | in stock |
| P-579478048 | 95 | As is | in stock |
| P-901019723 | 95 | As is | in stock |
| P-854690702 | 95 | As is | in stock |
| P-474026326 | 95 | As is | in stock |
| P-608277193 | 98 | As is | in stock |
| P-1263957892 | 90 | As is | in stock |
| P-579711041 | N/A | As is | in stock |
| P-893179719 | N/A | As an isomer | by synthesis |
| P-893075966 | N/A | As an isomer | by synthesis |
| P-872724599 | 98 | As an isomer | in stock |
| P-124203 | 90 | As an isomer | unavailable |
| P-34907930 | 90 | As an isomer | in stock |
| P-580450171 | 98 | As an isomer | in stock |
| P-34739784 | 90 | As an isomer | by synthesis |
| P-500418032 | 98 | As an isomer | in stock |
| P-505492839 | 95 | As an isomer | in stock |
| P-502796685 | 90 | As an isomer | in stock |
| P-890849933 | 95 | As an isomer | in stock |
| P-488555869 | 92 | As an isomer | in stock |
| P-488543887 | 90 | As an isomer | in stock |
| P-856006112 | 99 | As an isomer | 100 mg |
| P-524166052 | 99 | As an isomer | 1000 g |
| P-596593956 | 90 | As an isomer | 500 g |
| P-856045212 | 90 | As an isomer | 10 g |
| P-31164906 | 90 | As an isomer | 10 g |
| P-35240599 | 90 | As an isomer | 8.934 kg |
| P-621082069 | 90 | As an isomer | by synthesis |
| P-454364729 | 92 | As an isomer | in stock |
| P-885519961 | 95 | As an isomer | by synthesis |
| P-18848771 | 90 | As an isomer | in stock |
| P-502365498 | 90 | As an isomer | in stock |
| P-33162065 | 90 | As an isomer | 1000 mg |
| P-825235 | 90 | As an isomer | 2.871 g |
| P-464682064 | 90 | As an isomer | 2.871 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 376.364 |
| logP | -1.6752 |
| H-bond acceptors | 10 |
| H-bond donors | 5 |
| Rotatable bonds | 5 |
| PSA | 161.56 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 96.9939 |
| Atoms | 47 |
| Rings | 3 |
| Heavy atoms | 27 |
| Hydrogen atoms | 20 |
| Heteroatoms | 10 |
| N/O atoms | 10 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 3 |
| R/S chiral centers | 3 |
| 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 |
