Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1394184622
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 | 36 USD | 92 | 18 working days | Get Quote |
| 5 mg | 46 USD | 90 | 21 working days | Get Quote |
| 10 mg | 54 USD | 90 | 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-1394184622.sdf |
| SMILES | MCULE-1394184622.smiles |
| Standard InChI | MCULE-1394184622.inchi |
| InChIKey | MCULE-1394184622.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867502787 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-869219652 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-517104958 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-596353466 | Asinex | General screening catalog | 90 | As is | 65 mg |
| P-4299140 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 5 mg |
| P-4383776 | ChemDiv | Discovery Chemistry Library | 90 | As is | 88 mg |
| P-34785749 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
| P-13928989 | InterBioScreen | Natural Compounds | 95 | As is | 221 mg |
| P-445331043 | Pharmeks LLC | Semi-natural compounds | 92 | As is | 221 mg |
| P-18844731 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-902691037 | Specs | Natural Products | 80 | As is | 55 mg |
| P-454061983 | Specs | Screening Compounds | 90 | As is | 55 mg |
| P-902688301 | Specs | Natural Products | 80 | As is | 33 mg |
| P-12329712 | Specs | Screening Compounds | 90 | As is | 33 mg |
| P-33431915 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-888437797 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-611482199 | Toronto Research | In stock | 90 | As is | in stock |
| P-776466 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 172 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 394.459 |
| logP | 4.941 |
| H-bond acceptors | 5 |
| H-bond donors | 0 |
| Rotatable bonds | 6 |
| PSA | 53.99 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 114.234 |
| Atoms | 55 |
| Rings | 3 |
| Heavy atoms | 29 |
| Hydrogen atoms | 26 |
| 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 | 2 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 2 |
| Undefined stereo double bonds | 0 |
