Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3949667269
Compound
Show structures
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 | 13 USD | 98 | 11 working days | Get Quote |
| 5 mg | 13 USD | 98 | 11 working days | Get Quote |
| 10 mg | 13 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.
-
MCULE-2221582531
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3949667269.sdf |
| SMILES | MCULE-3949667269.smiles |
| Standard InChI | MCULE-3949667269.inchi |
| InChIKey | MCULE-3949667269.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-489194248 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-505576138 | Bosche Scientific | Bosche Products | 98 | As is | in stock |
| P-452661245 | Chemfaces | Natural Compounds | 98 | As is | in stock |
| P-851270474 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868596941 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
| P-889115403 | FluoroChem | In Stock BB | 95 | As is | 6.7 g |
| P-852460483 | Matrix Scientific | All | N/A | As is | in stock |
| P-854692440 | MedChemExpress | Natural Products In stock | 95 | As is | in stock |
| P-895895169 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-617404891 | Selleckchem | Product Catalog | N/A | As is | in stock |
| P-868645766 | Combi-Blocks | Building Block in stock | 98 | As a main component | in stock |
| P-866725645 | Apollo Scientific | In Stock | 95 | As an isomer | 14 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 329.206 |
| logP | -0.2362 |
| H-bond acceptors | 11 |
| H-bond donors | 3 |
| Rotatable bonds | 1 |
| PSA | 164.65 |
| RO5 violations | 1 |
| RO3 violations | 3 |
| Refractivity | 70.2315 |
| Atoms | 34 |
| Rings | 4 |
| Heavy atoms | 22 |
| Hydrogen atoms | 12 |
| Heteroatoms | 12 |
| N/O atoms | 11 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 4 |
| 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 |
