Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5823849588
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 | 40 USD | 90 | 22 working days | Get Quote |
| 5 mg | 58 USD | 90 | 22 working days | Get Quote |
| 10 mg | 72 USD | 95 | 21 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-5823849588.sdf |
| SMILES | MCULE-5823849588.smiles |
| Standard InChI | MCULE-5823849588.inchi |
| InChIKey | MCULE-5823849588.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-852077007 | N/A | As is | by synthesis |
| P-867429963 | 95 | As is | by synthesis |
| P-894648852 | 95 | As is | in stock |
| P-901360493 | 95 | As is | by synthesis |
| P-4364580 | 90 | As is | 50 mg |
| P-454626341 | 90 | As is | in stock |
| P-9921836 | 90 | As is | 22.995 g |
| P-436467641 | 95 | As is | in stock |
| P-578419972 | 90 | As is | in stock |
| P-20005097 | 90 | As is | in stock |
| P-34782630 | 90 | As is | by synthesis |
| P-502501631 | 95 | As is | by synthesis |
| P-503482612 | 90 | As is | by synthesis |
| P-492221912 | 95 | As is | in stock |
| P-502596665 | 90 | As is | in stock |
| P-855913794 | 97 | As is | 5 g |
| P-31258020 | 90 | As is | unavailable |
| P-492283162 | 95 | As is | 1.63 g |
| P-12807761 | 90 | As is | 1.63 g |
| P-34139630 | 90 | As is | in stock |
| P-22814629 | 90 | As is | in stock |
| P-502338129 | 90 | As is | in stock |
| P-888430564 | 94 | As is | by resynthesis (? - ? days) |
| P-855225829 | 90 | As is | in stock |
| P-1065027 | 90 | As is | 2.202 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 260.070 |
| logP | 2.6457 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 66.4 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 61.6865 |
| Atoms | 23 |
| Rings | 1 |
| Heavy atoms | 16 |
| Hydrogen atoms | 7 |
| Heteroatoms | 6 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
