Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2218030498
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 | 44 USD | 95 | 7 working days | Get Quote |
| 5 mg | 97 USD | 95 | 7 working days | Get Quote |
| 10 mg | 142 USD | 95 | 7 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-2218030498.sdf |
| SMILES | MCULE-2218030498.smiles |
| Standard InChI | MCULE-2218030498.inchi |
| InChIKey | MCULE-2218030498.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867592581 | 98 | As is | in stock |
| P-875751007 | N/A | As is | in stock |
| P-869224208 | 95 | As is | in stock |
| P-903082638 | 98 | As is | 200 mg |
| P-893605808 | 90 | As is | 1.014 g |
| P-881626201 | N/A | As is | by synthesis |
| P-875889489 | 98 | As is | 600 mg |
| P-872726016 | 98 | As is | in stock |
| P-889521102 | 95 | As is | by synthesis |
| P-890234724 | 98 | As is | by synthesis |
| P-580451360 | 98 | As is | in stock |
| P-873246659 | 90 | As is | 10 mg |
| P-872798202 | 95 | As is | in stock |
| P-871068395 | 95 | As is | in stock |
| P-491318772 | 95 | As is | by synthesis |
| P-869118937 | 95 | As is | by synthesis |
| P-892288989 | 95 | As is | unavailable |
| P-888633928 | 95 | As is | 100 mg |
| P-611347393 | 90 | As is | in stock |
| P-894003983 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 411.312 |
| logP | 6.468 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 70.76 |
| RO5 violations | 1 |
| RO3 violations | 3 |
| Refractivity | 95.943 |
| Atoms | 35 |
| Rings | 3 |
| Heavy atoms | 23 |
| Hydrogen atoms | 12 |
| Heteroatoms | 6 |
| N/O atoms | 2 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
