Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5103593069
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 | 7 working days | Get Quote |
| 5 mg | 78 USD | 98 | 11 working days | Get Quote |
| 10 mg | 78 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-5103593069.sdf |
| SMILES | MCULE-5103593069.smiles |
| Standard InChI | MCULE-5103593069.inchi |
| InChIKey | MCULE-5103593069.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867555728 | 98 | As is | in stock |
| P-875714348 | N/A | As is | in stock |
| P-853438687 | 95 | As is | in stock |
| P-903042160 | 95 | As is | 20 mg |
| P-1264049576 | 95 | As is | in stock |
| P-893525054 | 90 | As is | 693 mg |
| P-580235036 | 95 | As is | by synthesis |
| P-903001026 | N/A | As is | in stock |
| P-895094213 | 99 | As is | 500 mg |
| P-872728754 | 98 | As is | in stock |
| P-896023898 | 95 | As is | in stock |
| P-902966783 | 97 | As is | 492 mg |
| P-452650281 | 98 | As is | in stock |
| P-887203424 | 95 | As is | by synthesis |
| P-579478296 | 95 | As is | in stock |
| P-873246631 | 97 | As is | 5 mg |
| P-854691926 | 95 | As is | in stock |
| P-871064700 | 95 | As is | in stock |
| P-888174291 | 98 | As is | by synthesis |
| P-892238635 | 95 | As is | by synthesis |
| P-869176463 | 95 | As is | in stock |
| P-892292985 | 95 | As is | unavailable |
| P-892328478 | 95 | As is | 50 mg |
| P-886937316 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 410.458 |
| logP | 4.9783 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 89.13 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 118.051 |
| Atoms | 56 |
| Rings | 4 |
| Heavy atoms | 30 |
| Hydrogen atoms | 26 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
