Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8127276921-0
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 | 18 USD | 90 | 21 working days | Get Quote |
| 5 mg | 18 USD | 90 | 21 working days | Get Quote |
| 10 mg | 18 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.
-
MCULE-2582723632-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-8127276921-0.sdf |
| SMILES | MCULE-8127276921-0.smiles |
| Standard InChI | MCULE-8127276921-0.inchi |
| InChIKey | MCULE-8127276921-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867599059 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875756929 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869333949 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-436453497 | Alinda | Building Blocks | 95 | As is | 6 g |
| P-578527431 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-851398589 | AmBeed | On request | N/A | As is | by synthesis |
| P-901350882 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-481170153 | Atlantic Research Chemicals Ltd | In-stock Building Blocks | 95 | As is | 10 g |
| P-590725835 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-492253795 | ChemBridge | Building Block Library | 95 | As is | in stock |
| P-6854838 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 5 mg |
| P-454636360 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-10543048 | ChemDiv | Discovery Chemistry Library | 90 | As is | 43 mg |
| P-153316 | Chemical Block | Screening Library | 90 | As is | unavailable |
| P-861557333 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-580425481 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-579483011 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 1.312 g |
| P-890203558 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
| P-502475282 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-502923262 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-454362221 | Key Organics | Screening Compounds and Fragments | 90 | As is | 95 mg |
| P-588253261 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-852407300 | Matrix Scientific | All | N/A | As is | in stock |
| P-35254699 | Maybridge | Screening Collection | 90 | As is | 4.067 kg |
| P-854844158 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-26525852 | Otava | In-House Stock Library | 90 | As is | 50 mg |
| P-19080563 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-896233409 | Specs | Screening Compounds | 90 | As is | 11 mg |
| P-502358789 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-22482756 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 150 mg |
| P-611434571 | Toronto Research | In stock | 90 | As is | in stock |
| P-800302 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 121 mg |
| P-3241655 | VITAS M CHEMICAL LIMITED | Collections of Fragments for Fragment-based Drug Discovery | 90 | As is | 121 mg |
| P-893677666 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| P-579482779 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As a main component | 200 mg |
| P-890203491 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As a main component | in stock |
| P-524176721 | Key Organics | Building Blocks | 95 | As a main component | unavailable |
| P-588250086 | Manchester Organics | Compounds on demand | N/A | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 233.262 |
| logP | 1.366 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 57.61 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 67.0778 |
| Atoms | 32 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 15 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
