Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3627399529
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 | 14 USD | 95 | 16 working days | Get Quote |
| 5 mg | 14 USD | 95 | 16 working days | Get Quote |
| 10 mg | 14 USD | 95 | 16 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-3627399529.sdf |
| SMILES | MCULE-3627399529.smiles |
| Standard InChI | MCULE-3627399529.inchi |
| InChIKey | MCULE-3627399529.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867567472 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875726771 | AA Blocks | AA Blocks | N/A | As is | in stock |
| P-869187142 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-869235576 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-489132183 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-889740627 | Atlantic Research Chemicals Ltd | In-stock Building Blocks | 95 | As is | 600 g |
| P-868610315 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-580401906 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-579474433 | Key Organics | Screening Compounds and Fragments | 95 | As is | 100 mg |
| P-856041882 | LaboTest | Building Blocks | 90 | As is | 10 g |
| P-31273470 | LaboTest | Screening Collection | 90 | As is | 10 g |
| P-580507457 | Manchester Organics | Compounds on demand | 98 | As is | by synthesis |
| P-502367900 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611377879 | Toronto Research | In stock | 90 | As is | in stock |
| P-611462763 | Toronto Research | In stock | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 140.565 |
| logP | 2.0656 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 17.07 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 36.6255 |
| Atoms | 14 |
| Rings | 1 |
| Heavy atoms | 9 |
| Hydrogen atoms | 5 |
| Heteroatoms | 2 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
