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MCULE-5519004996-0
Structure
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- 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.
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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.
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|
|---|---|---|---|---|
| 1 mg | 14 USD | 95 | 14 working days | Get Quote |
| 5 mg | 14 USD | 95 | 14 working days | Get Quote |
| 10 mg | 14 USD | 95 | 14 working days | Get Quote |
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1
MCULE-7471396456-0
- Component type: Main
-
1
MCULE-9920754312-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5519004996-0.sdf |
| SMILES | MCULE-5519004996-0.smiles |
| Standard InChI | MCULE-5519004996-0.inchi |
| InChIKey | MCULE-5519004996-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-18953742 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-892859720 | A2B Chem | Predominantly Building Block in stock | 95 | Main component | in stock |
| P-869230899 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-589662975 | Apollo Scientific | On request | 95 | Main component | by resynthesis (? - ? days) |
| P-864177727 | AstaTech | In Stock BBs | 95 | Main component | in stock |
| P-889748616 | Atlantic Research Chemicals Ltd | In-stock Building Blocks | 95 | Main component | 93.5 g |
| P-872718491 | BLD pharm | In-stock building blocks | 95 | Main component | 2.635 g |
| P-666907963 | ChemBridge | EXPRESS-Pick Collection | 90 | Main component | 5 mg |
| P-868653259 | Combi-Blocks | Building Block in stock | 95 | Main component | in stock |
| P-12812247 | InterBioScreen | Screening Compounds | 92 | Main component | unavailable |
| P-854929842 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| P-23796762 | Pharmeks LLC | Synthetic compounds | 92 | Main component | 300 mg |
| P-18914309 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
| P-889873721 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
| P-3240514 | VITAS M CHEMICAL LIMITED | Collections of Fragments for Fragment-based Drug Discovery | 90 | Main component | 596 mg |
| P-892899510 | A2B Chem | Predominantly Building Block in stock | 95 | Main component as a main component | in stock |
| P-868586372 | Combi-Blocks | Building Block in stock | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 267.277 |
| logP | 1.1656 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 4 |
| PSA | 98.07 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 70.3526 |
| Atoms | 36 |
| Rings | 1 |
| Heavy atoms | 19 |
| Hydrogen atoms | 17 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
