Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1605086985-0
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 | 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-7040346447-0
- Component type: Main
-
MCULE-7692911052-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1605086985-0.sdf |
| SMILES | MCULE-1605086985-0.smiles |
| Standard InChI | MCULE-1605086985-0.inchi |
| InChIKey | MCULE-1605086985-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867320979 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
| P-851803914 | AmBeed | On request | N/A | As is | by synthesis |
| P-611095351 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-901439885 | Biosynth | Synthesis | 95 | As is | by synthesis |
| P-901420570 | Biosynth | Synthesis | 95 | As is | by synthesis |
| P-890836993 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
| P-895565996 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-620221322 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 124 mg |
| P-617665984 | Otava | In-House Stock Library | 90 | As is | 124 mg |
| P-856067686 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 124 mg |
| P-893824752 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| P-867384434 | A2B Chem | Predominantly Building Block on demand | 95 | As a main component | by synthesis |
| P-675064100 | Alinda | Building Blocks | 95 | As a main component | 30 g |
| P-851404696 | AmBeed | On request | N/A | As a main component | by synthesis |
| P-611077654 | BLD pharm | Non-stock building blocks | 95 | As a main component | by synthesis |
| P-619849349 | ChemDiv | Discovery Chemistry Library | 90 | As a main component | 14 mg |
| P-887197327 | Combi-Blocks | Building Block on demand | 95 | As a main component | by synthesis |
| P-864498816 | Eximed | In-stock screening compounds | 90 | As a main component | 6.6 g |
| P-579803227 | Eximed | In-stock screening compounds | 90 | As a main component | 17.545 g |
| P-580089340 | Eximed | Building Block Catalog | 95 | As a main component | 17.545 g |
| P-675390790 | Innovapharm | Screening Compounds | 90 | As a main component | in stock |
| P-580045078 | Innovapharm | Screening Compounds | 90 | As a main component | in stock |
| P-675487829 | Innovapharm | Building Blocks | 95 | As a main component | in stock |
| P-492242558 | Innovapharm | Building Blocks | 95 | As a main component | in stock |
| P-617812288 | InterBioScreen | Building Blocks | 90 | As a main component | in stock |
| P-854494284 | InterBioScreen | Screening Compounds | 92 | As a main component | 300 mg |
| P-620226234 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As a main component | 22.545 g |
| P-26448114 | Otava | In-House Stock Library | 90 | As a main component | 22.545 g |
| P-454373582 | Pharmeks LLC | Building Blocks | 92 | As a main component | in stock |
| P-14027786 | Pharmeks LLC | Synthetic compounds | 92 | As a main component | 300 mg |
| P-675127438 | Princeton Biomolecular Research | Screening Compounds | 90 | As a main component | in stock |
| P-873218336 | TimTec | Building Block Collection | 90 | As a main component | in stock |
| P-617789515 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As a main component | 1.005 g |
| P-617725939 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As a main component | 1.005 g |
| P-893812245 | eNovation Chemicals LLC | Building Block on demand | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 188.229 |
| logP | 1.4826 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 42.22 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 56.9767 |
| Atoms | 26 |
| Rings | 3 |
| Heavy atoms | 14 |
| Hydrogen atoms | 12 |
| 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 |
