Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4097760876
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 | 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.
| Name | File |
|---|---|
| SDF | MCULE-4097760876.sdf |
| SMILES | MCULE-4097760876.smiles |
| Standard InChI | MCULE-4097760876.inchi |
| InChIKey | MCULE-4097760876.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-860639655 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-901219208 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
| P-874610542 | AK Scientific | Building Blocks | 97 | As is | in stock |
| P-612938643 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-903226958 | Aaron Chemicals LLC | Predominantly Building Block | 95 | As is | 1000 mg |
| P-851591262 | AmBeed | On request | N/A | As is | by synthesis |
| P-596495064 | Asinex | General bb catalog | 90 | As is | 1000 mg |
| P-596435290 | Asinex | General screening catalog | 90 | As is | 1000 mg |
| P-889807486 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-590825637 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-901566872 | Biosynth | Synthesis | 95 | As is | by synthesis |
| P-504777000 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | in stock |
| P-502660551 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-492226683 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-12716252 | InterBioScreen | Screening Compounds | 95 | As is | 300 mg |
| P-596586516 | Key Organics | Building Blocks | 90 | As is | 500 mg |
| P-613280255 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
| P-588253277 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-852384277 | Matrix Scientific | All | N/A | As is | in stock |
| P-854843993 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-492284039 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 1.512 g |
| P-12891995 | Otava | In-House Stock Library | 90 | As is | 50 mg |
| P-445300256 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
| P-885515733 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-18880327 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-502335226 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-903642525 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-855250561 | Toronto Research | In stock | 90 | As is | in stock |
| P-855217444 | Toronto Research | In stock | 90 | As is | in stock |
| P-3240875 | VITAS M CHEMICAL LIMITED | Collections of Fragments for Fragment-based Drug Discovery | 90 | As is | 2.564 g |
| P-3218803 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 2.564 g |
| P-468725 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 2.564 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 241.313 |
| logP | 3.1329 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 105.34 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 60.4794 |
| Atoms | 23 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 8 |
| Heteroatoms | 6 |
| N/O atoms | 3 |
| 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 |
