Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1213748174
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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 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-6675935038
- Component type: Main
-
MCULE-2743749211
- Component type: Main
-
MCULE-7140896177
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1213748174.sdf |
| SMILES | MCULE-1213748174.smiles |
| Standard InChI | MCULE-1213748174.inchi |
| InChIKey | MCULE-1213748174.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886610313 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-890157698 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-894667968 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-903149953 | Aaron Chemicals LLC | Predominantly Building Block | 95 | As is | 2.5 g |
| P-851512331 | AmBeed | On request | N/A | As is | by synthesis |
| P-489150136 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-889815892 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-590783180 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-4197351 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 50 mg |
| P-3356902 | ChemDiv | Discovery Chemistry Library | 90 | As is | 50 mg |
| P-896543613 | Combi-Blocks | Building Block in stock | N/A | As is | in stock |
| P-502592914 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-12519986 | InterBioScreen | Screening Compounds | 95 | As is | 260 mg |
| P-18720215 | Key Organics | Screening Compounds and Fragments | 95 | As is | 53.42 g |
| P-454379440 | Key Organics | Building Blocks | 95 | As is | 53.42 g |
| P-579643236 | LabSeeker, Inc | On demand Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-854840793 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-13820772 | Pharmeks LLC | Synthetic compounds | 92 | As is | in stock |
| P-18831955 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-33814889 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
| P-907187136 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-855216240 | Toronto Research | In stock | 90 | As is | in stock |
| P-2175512 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 50 mg |
| P-886935683 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 239.229 |
| logP | 3.4327 |
| H-bond acceptors | 5 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 63.12 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 69.45 |
| Atoms | 27 |
| Rings | 3 |
| Heavy atoms | 18 |
| Hydrogen atoms | 9 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
