1,4-Diazabicyclo(3.2.2)nonane, 4-(5-methyloxazolo(4,5-b)pyridin-2-yl)- , CAS No.439608-12-5

CAS: 439608-12-5 Cat. No.: D669122 Molecular Weight: 258.32 PubChem CID: 11184481
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Synonyms
CP-810123 | UNII-E6G4550EC4 | 1,4-Diazabicyclo(3.2.2)nonane, 4-(5-methyloxazolo(4,5-b)pyridin-2-yl)- | E6G4550EC4 | BSNKYWSMUAGMDO-UHFFFAOYSA-N | BDBM50309861 | AKOS040751302 | 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-methyl-[1,3]oxazolo[4,5-b]pyridine | Q
Storage
Room temperature
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Size
Status
Price
Qty
1mg
D669122-1mg
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$571.90

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5mg
D669122-5mg
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$1,999.90

$2,999.90
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
CP-810123 | UNII-E6G4550EC4 | 1, 4-Diazabicyclo(3.2.2)nonane, 4-(5-methyloxazolo(4, 5-b)pyridin-2-yl)- | E6G4550EC4 | BSNKYWSMUAGMDO-UHFFFAOYSA-N | BDBM50309861 | AKOS040751302 | 2-(1, 4-diazabicyclo[3.2.2]nonan-4-yl)-5-methyl-[1, 3]oxazolo[4, 5-b]pyridine | Q
Storage
Room temperature
Action Type
AGONIST
Product Properties
ALogP2.2
Names and Identifiers
Canonical SmilesCC1=NC2=C(C=C1)OC(=N2)N3CCN4CCC3CC4
IUPAC Name2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-methyl-[1,3]oxazolo[4,5-b]pyridine
InChIKeyBSNKYWSMUAGMDO-UHFFFAOYSA-N
INCHI1S/C14H18N4O/c1-10-2-3-12-13(15-10)16-14(19-12)18-9-8-17-6-4-11(18)5-7-17/h2-3,11H,4-9H2,1H3
Isomeric SMILES CC1=NC2=C(C=C1)OC(=N2)N3CCN4CCC3CC4
PubChem CID 11184481
Molecular Weight 258.32

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassOxazolopyridines
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentOxazolopyridines
Alternative Parents Dialkylarylamines  Methylpyridines  1,4-diazepanes  Piperidines  Oxazoles  Heteroaromatic compounds  Trialkylamines  Oxacyclic compounds  Azacyclic compounds  Organooxygen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 1,3-oxazolopyridine - Dialkylarylamine - 1,4-diazepane - Methylpyridine - Diazepane - Pyridine - Piperidine - Azole - Heteroaromatic compound - Oxazole - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as oxazolopyridines. These are polycyclic compounds containing an oxazole ring fused to a pyridine ring.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
CHRNA7 Tchem Neuronal acetylcholine receptor subunit alpha-7 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
HTR3A Tclin 5-hydroxytryptamine receptor 3A (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTR3A Tclin Serotonin 3a (5-HT3a) receptor (3366 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CHRM4 Tclin Muscarinic acetylcholine receptor M4 (6041 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CHRM5 Tclin Muscarinic acetylcholine receptor M5 (4677 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CHRM3 Tclin Muscarinic acetylcholine receptor M3 (7750 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CHRNA7 Tchem Neuronal acetylcholine receptor protein alpha-7 subunit (3524 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Liver microsomes (16955 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CHRNB2 Tclin Neuronal acetylcholine receptor; alpha4/beta2 (3972 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CHO (4503 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDCK (10148 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasma (328 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight258.320 g/mol
XLogP32.200
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass258.148 Da
Monoisotopic Mass258.148 Da
Topological Polar Surface Area45.400 Ų
Heavy Atom Count19
Formal Charge0
Complexity331.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

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