MCULE-9545701688-0
- 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 | 66 USD | 90 | 10 working days | Get Quote |
5 mg | 82 USD | 90 | 10 working days | Get Quote |
10 mg | 107 USD | 95 | 22 working days | Get Quote |
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Name | File |
---|---|
SDF | MCULE-9545701688-0.sdf |
SMILES | MCULE-9545701688-0.smiles |
Standard InChI | MCULE-9545701688-0.inchi |
InChIKey | MCULE-9545701688-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886612592 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-889927931 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-580217340 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
P-851504746 | AmBeed | On request | N/A | As is | by synthesis |
P-889516070 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-611056025 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-10554164 | ChemDiv | Discovery Chemistry Library | 90 | As is | 22 mg |
P-861396211 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-34784114 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-454323482 | Key Organics | Screening Compounds and Fragments | 90 | As is | 40 mg |
P-31180795 | LaboTest | Screening Collection | 90 | As is | 1000 mg |
P-895553701 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-630988922 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
P-18954417 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-896188378 | Specs | Screening Compounds | 90 | As is | 23 mg |
P-22448996 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 41 mg |
P-611579511 | Toronto Research | In stock | 90 | As is | in stock |
P-3245899 | VITAS M CHEMICAL LIMITED | Collections of Fragments for Fragment-based Drug Discovery | 90 | As is | 562 mg |
P-893821552 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 179.215 |
logP | 1.7222 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 38.33 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 50.5157 |
Atoms | 26 |
Rings | 1 |
Heavy atoms | 13 |
Hydrogen atoms | 13 |
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 |