Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5218511289
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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 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-5218511289.sdf |
| SMILES | MCULE-5218511289.smiles |
| Standard InChI | MCULE-5218511289.inchi |
| InChIKey | MCULE-5218511289.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867405325 | 95 | As is | by synthesis |
| P-889947563 | N/A | As is | by synthesis |
| P-894614513 | 95 | As is | in stock |
| P-903207969 | 95 | As is | 1000 mg |
| P-851597010 | N/A | As is | by synthesis |
| P-596464393 | 90 | As is | 1000 mg |
| P-596498425 | 90 | As is | 1000 mg |
| P-905448000 | 95 | As is | by synthesis |
| P-590914629 | 95 | As is | by synthesis |
| P-454676454 | 90 | As is | in stock |
| P-454756959 | 90 | As is | in stock |
| P-619859602 | 90 | As is | 1000 mg |
| P-675064070 | 95 | As is | 30 g |
| P-675039337 | 90 | As is | in stock |
| P-905259261 | 95 | As is | by synthesis |
| P-34525673 | 90 | As is | by synthesis |
| P-580776759 | 90 | As is | by resynthesis (? - ? days) |
| P-580766106 | 90 | As is | in stock |
| P-502471701 | 95 | As is | by synthesis |
| P-502926568 | 90 | As is | in stock |
| P-492226535 | 95 | As is | in stock |
| P-488549870 | 90 | As is | in stock |
| P-13708676 | 95 | As is | 300 mg |
| P-563688506 | 95 | As is | 1000 mg |
| P-500223482 | 96 | As is | in stock |
| P-580469677 | N/A | As is | by synthesis |
| P-852387420 | N/A | As is | in stock |
| P-854911857 | 95 | As is | by synthesis |
| P-26524766 | 90 | As is | 1.2 g |
| P-525217248 | 95 | As is | 1.2 g |
| P-454371836 | 92 | As is | in stock |
| P-13889991 | 92 | As is | 300 mg |
| P-856063666 | 95 | As is | in stock |
| P-19449172 | 90 | As is | in stock |
| P-502333310 | 90 | As is | in stock |
| P-22500901 | 90 | As is | 102 mg |
| P-855220809 | 90 | As is | in stock |
| P-464683655 | 90 | As is | 1.056 g |
| P-25020600 | 90 | As is | 1.056 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 248.231 |
| logP | 2.5654 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 68.9 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 63.1383 |
| Atoms | 30 |
| Rings | 2 |
| Heavy atoms | 18 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
