Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4630950069
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 | 3 USD | 98 | 14 working days | Get Quote |
| 5 mg | 3 USD | 98 | 14 working days | Get Quote |
| 10 mg | 3 USD | 98 | 14 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-4630950069.sdf |
| SMILES | MCULE-4630950069.smiles |
| Standard InChI | MCULE-4630950069.inchi |
| InChIKey | MCULE-4630950069.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867539125 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875695012 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-890257887 | ACS Scientific | Synthesis catalog | 97 | As is | by synthesis |
| P-597027996 | AEchem | Building blocks | 95 | As is | in stock |
| P-505399917 | AK Scientific | Building Blocks | 99 | As is | in stock |
| P-903016725 | Aaron Chemicals LLC | Predominantly Building Block | 98 | As is | 1.5 kg |
| P-893513697 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 1.94264 kg |
| P-580239316 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
| P-606893771 | AmBeed | In stock | N/A | As is | in stock |
| P-596937444 | Angene | Building Blocks in stock | 98 | As is | 1.5 kg |
| P-494340823 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864094105 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-580704430 | BLD pharm | In-stock building blocks | 95 | As is | 141.5 g |
| P-901500886 | Biosynth | Synthesis | 95 | As is | by synthesis |
| P-893236025 | Biosynth | In Stock | 95 | As is | in stock |
| P-878240502 | CHESS Chem | All products | 98 | As is | in stock |
| P-577098502 | Chemcia | Stock compounds | 97 | As is | in stock |
| P-851265230 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868592239 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-889114558 | FluoroChem | In Stock BB | N/A | As is | 1000 mg |
| P-855379808 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 25 g |
| P-890221158 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
| P-502529571 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-492242775 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-13235040 | InterBioScreen | Screening Compounds | 95 | As is | 6 mg |
| P-563468546 | Key Organics | Building Blocks | 95 | As is | 250 mg |
| P-454386472 | Key Organics | Building Blocks | 95 | As is | 619 mg |
| P-454288080 | Key Organics | Screening Compounds and Fragments | 95 | As is | 619 mg |
| P-615646692 | LabNetwork | In stock | 95 | As is | in stock |
| P-608121548 | LabSeeker, Inc | Stock Collection | 95 | As is | in stock |
| P-14060538 | Life Chemicals | Building Blocks | 95 | As is | 351 mg |
| P-601056070 | Life Chemicals | Screening Compounds | 90 | As is | 351 mg |
| P-580491758 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-852440771 | Matrix Scientific | All | N/A | As is | in stock |
| P-904073201 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-12797760 | Otava | In-House Stock Library | 90 | As is | 109 mg |
| P-12633416 | Otava | In-House Stock Library | 90 | As is | 57 mg |
| P-888903014 | PharmaBlock | In stock | N/A | As is | in stock |
| P-859998813 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-519875586 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-854992708 | Toronto Research | In stock | 90 | As is | in stock |
| P-3240467 | VITAS M CHEMICAL LIMITED | Collections of Fragments for Fragment-based Drug Discovery | 90 | As is | 107 mg |
| P-893947744 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| P-590437810 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 161.200 |
| logP | 1.6189 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 29.1 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 50.6317 |
| Atoms | 23 |
| Rings | 2 |
| Heavy atoms | 12 |
| Hydrogen atoms | 11 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |
