Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3980052563
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 | 30 USD | 98 | 22 working days | Get Quote |
| 5 mg | 30 USD | 98 | 22 working days | Get Quote |
| 10 mg | 39 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-3980052563.sdf |
| SMILES | MCULE-3980052563.smiles |
| Standard InChI | MCULE-3980052563.inchi |
| InChIKey | MCULE-3980052563.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875744050 | N/A | As is | in stock |
| P-903074463 | 95 | As is | 7 g |
| P-1264052301 | 95 | As is | in stock |
| P-489220144 | 97 | As is | in stock |
| P-860055084 | 98 | As is | by synthesis |
| P-666959544 | 95 | As is | 1.531 g |
| P-452651471 | 98 | As is | in stock |
| P-851278848 | 95 | As is | by synthesis |
| P-861477703 | 95 | As is | by synthesis |
| P-896626954 | 95 | As is | by synthesis |
| P-854693483 | 95 | As is | in stock |
| P-474021845 | 95 | As is | in stock |
| P-878640907 | 98 | As is | in stock |
| P-867585829 | 98 | As an isomer | in stock |
| P-505396605 | 98 | As an isomer | in stock |
| P-893517971 | 90 | As an isomer | 435.181 g |
| P-851928254 | N/A | As an isomer | in stock |
| P-596984011 | 98 | As an isomer | 2 g |
| P-580192661 | 98 | As an isomer | in stock |
| P-864159079 | 98 | As an isomer | in stock |
| P-893223506 | 95 | As an isomer | in stock |
| P-563429077 | 97 | As an isomer | 1000 mg |
| P-888846091 | N/A | As an isomer | by synthesis |
| P-889866154 | 95 | As an isomer | by synthesis |
| P-579712868 | N/A | As an isomer | in stock |
| P-892260749 | 95 | As an isomer | by synthesis |
| P-869178033 | 95 | As an isomer | in stock |
| P-892297185 | 95 | As an isomer | unavailable |
| P-892342244 | 95 | As an isomer | 199 mg |
| P-611349156 | 90 | As an isomer | in stock |
| P-868510755 | 95 | As an isomer | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 272.252 |
| logP | 2.4051 |
| H-bond acceptors | 5 |
| H-bond donors | 4 |
| Rotatable bonds | 3 |
| PSA | 97.99 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 74.3405 |
| Atoms | 32 |
| Rings | 2 |
| Heavy atoms | 20 |
| Hydrogen atoms | 12 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 |
