Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2519990320
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 | 32 USD | 95 | 27 working days | Get Quote |
| 5 mg | 32 USD | 95 | 27 working days | Get Quote |
| 10 mg | 32 USD | 95 | 27 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-2519990320.sdf |
| SMILES | MCULE-2519990320.smiles |
| Standard InChI | MCULE-2519990320.inchi |
| InChIKey | MCULE-2519990320.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-903033219 | 97 | As is | 20 g |
| P-855390922 | 97 | As is | 10.96 g |
| P-590850680 | 95 | As is | by synthesis |
| P-861472438 | 95 | As is | by synthesis |
| P-590413229 | 95 | As an isomer | in stock |
| P-851488931 | N/A | As an isomer | by synthesis |
| P-867716769 | N/A | As an isomer | in stock |
| P-596986735 | 97 | As an isomer | 20 g |
| P-895926944 | 95 | As an isomer | by resynthesis (? - ? days) |
| P-864176275 | 98 | As an isomer | in stock |
| P-580444448 | 95 | As an isomer | by resynthesis (? - ? days) |
| P-596571348 | 97 | As an isomer | 5 g |
| P-643324368 | 90 | As an isomer | by synthesis |
| P-888881305 | N/A | As an isomer | in stock |
| P-500386240 | 98 | As an isomer | by synthesis |
| P-885545704 | 95 | As an isomer | by synthesis |
| P-869124912 | 95 | As an isomer | by synthesis |
| P-888638595 | 95 | As an isomer | unavailable |
| P-611361272 | 90 | As an isomer | in stock |
| P-615402666 | 95 | As an isomer | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 231.291 |
| logP | 4.4052 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 12.89 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 77.113 |
| Atoms | 31 |
| Rings | 3 |
| Heavy atoms | 18 |
| Hydrogen atoms | 13 |
| Heteroatoms | 1 |
| N/O atoms | 1 |
| 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 |
