Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7991158417
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 | 5 USD | 98 | 8 working days | Get Quote |
| 5 mg | 5 USD | 98 | 8 working days | Get Quote |
| 10 mg | 5 USD | 98 | 8 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-7991158417.sdf |
| SMILES | MCULE-7991158417.smiles |
| Standard InChI | MCULE-7991158417.inchi |
| InChIKey | MCULE-7991158417.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867587724 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875746769 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869184631 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-505350228 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-869356076 | AK Scientific | Building Blocks | 99 | As is | in stock |
| P-606867810 | AmBeed | In stock | N/A | As is | in stock |
| P-596954977 | Angene | Building Blocks in stock | 99 | As is | 5.69 kg |
| P-589661103 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864138444 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-580699658 | BLD pharm | In-stock building blocks | 98 | As is | 1.735 kg |
| P-893233820 | Biosynth | In Stock | 95 | As is | in stock |
| P-851319162 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868599501 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-580287359 | Debye Scientific | General Catalog | N/A | As is | by resynthesis (? - ? days) |
| P-896535265 | FluoroChem | In Stock BB | 95 | As is | 25 g |
| P-488550689 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-454388651 | Key Organics | Building Blocks | 95 | As is | 100 g |
| P-855998528 | Key Organics | Screening Compounds and Fragments | 95 | As is | 100 mg |
| P-856042636 | LaboTest | Building Blocks | 90 | As is | 10 g |
| P-31276627 | LaboTest | Screening Collection | 90 | As is | 10 g |
| P-580491653 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-454368998 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-605210513 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885523585 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-896081227 | Specs | Repurposed Compounds | N/A | As is | 8.017 g |
| P-502369101 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611486529 | Toronto Research | In stock | 90 | As is | in stock |
| P-2966314 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1000 mg |
| P-3227337 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1000 mg |
| P-868499309 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 166.173 |
| logP | 1.4818 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 35.53 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 44.2135 |
| Atoms | 22 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 10 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |
