Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1731676646-0
Structure
Show compound
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 | 5 USD | 98 | 22 working days | Get Quote |
| 5 mg | 5 USD | 98 | 22 working days | Get Quote |
| 10 mg | 5 USD | 98 | 22 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-1731676646-0.sdf |
| SMILES | MCULE-1731676646-0.smiles |
| Standard InChI | MCULE-1731676646-0.inchi |
| InChIKey | MCULE-1731676646-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867560286 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-611624069 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-851512074 | AmBeed | On request | N/A | As is | by synthesis |
| P-606921083 | AmBeed | In stock | N/A | As is | in stock |
| P-596945048 | Angene | Building Blocks in stock | 98 | As is | 300 g |
| P-864225132 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-864109571 | AstaTech | In Stock BBs | 99 | As is | in stock |
| P-893248694 | Biosynth | Synthesis | 95 | As is | by synthesis |
| P-893235300 | Biosynth | In Stock | 95 | As is | in stock |
| P-870652787 | Glentham Life Sciences | Compounds typically in stock | 98 | As is | in stock |
| P-505521291 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-856009413 | Key Organics | Biochemicals | 97 | As is | 4.988 g |
| P-608279515 | Molnova | Stock | 98 | As is | in stock |
| P-500410327 | Pi Chemicals | Virtual Compounds | 97 | As is | by synthesis |
| P-889869784 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-579712081 | Selleckchem | Product Catalog | N/A | As is | in stock |
| P-580050895 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-869176996 | TargetMol | Natural Products | 95 | As is | in stock |
| P-892294463 | TargetMol | In Stock BB | 95 | As is | unavailable |
| P-892336019 | TargetMol | Screening Compounds - stock amount | 95 | As is | 101 mg |
| P-855013444 | Toronto Research | In stock | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 244.242 |
| logP | 2.6794 |
| H-bond acceptors | 4 |
| H-bond donors | 4 |
| Rotatable bonds | 2 |
| PSA | 80.92 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 69.904 |
| Atoms | 30 |
| Rings | 2 |
| Heavy atoms | 18 |
| Hydrogen atoms | 12 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
