MCULE-9645489796
- 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 | 35 USD | 90 | 17 working days | Get Quote |
5 mg | 52 USD | 90 | 17 working days | Get Quote |
10 mg | 67 USD | 90 | 17 working days | Get Quote |
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Name | File |
---|---|
SDF | MCULE-9645489796.sdf |
SMILES | MCULE-9645489796.smiles |
Standard InChI | MCULE-9645489796.inchi |
InChIKey | MCULE-9645489796.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886713314 | A2B Chem | Predominantly Building Block in stock | 93 | As is | in stock |
P-867480018 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-580211364 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
P-580211365 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
P-851533317 | AmBeed | On request | N/A | As is | by synthesis |
P-889803553 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-674261347 | ChemDiv | Discovery Chemistry Library | 90 | As is | 3 mg |
P-34821207 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
P-887362372 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-424100922 | Otava | In-House Stock Library | 90 | As is | 519 mg |
P-492279281 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 519 mg |
P-856970765 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-23891197 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-873217124 | TimTec | Building Block Collection | 90 | As is | in stock |
P-22528934 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 7 mg |
P-611540960 | Toronto Research | In stock | 90 | As is | in stock |
P-1045273 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 16 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 254.279 |
logP | 3.3634 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 5 |
PSA | 46.53 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 74.0908 |
Atoms | 33 |
Rings | 2 |
Heavy atoms | 19 |
Hydrogen atoms | 14 |
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 | 1 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 1 |
Undefined stereo double bonds | 0 |