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AZ31

CAT: 0127-BUP14515-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP14515-03Size:10 mg
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CAS Number
2088113-98-6
Synonyms
AZ 31, AZ-31
Purity
=95%
Smiles
N([C@@H](C)C1CCOCC1)C=2C3=C(N=CC2C(N)=O)C=CC(=C3)C=4C=CC(COC)=NC4

Chemical Information

3-Quinolinecarboxamide, 6-(6-(methoxymethyl)-3-pyridinyl)-4-(((1S)-1-(tetrahydro-2H-pyran-4-yl)ethyl)amino)-
CAS Number2088113-98-6
PubChem CID134694318
IUPAC Name6-[6-(methoxymethyl)-3-pyridinyl]-4-[[(1S)-1-(oxan-4-yl)ethyl]amino]quinoline-3-carboxamide
Molecular FormulaC24H28N4O3
Molecular Weight420.5
XLogP2.9
Topological Polar Surface Area99.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity585
SMILES
C[C@@H](C1CCOCC1)NC2=C3C=C(C=CC3=NC=C2C(=O)N)C4=CN=C(C=C4)COC
InChI
InChI=1S/C24H28N4O3/c1-15(16-7-9-31-10-8-16)28-23-20-11-17(18-3-5-19(14-30-2)26-12-18)4-6-22(20)27-13-21(23)24(25)29/h3-6,11-13,15-16H,7-10,14H2,1-2H3,(H2,25,29)(H,27,28)/t15-/m0/s1
InChIKey
DISRGUXSEDBDDN-HNNXBMFYSA-N
Chemical Structure
2D Structure
2D structure of 3-Quinolinecarboxamide, 6-(6-(methoxymethyl)-3-pyridinyl)-4-(((1S)-1-(tetrahydro-2H-pyran-4-yl)ethyl)amino)-
CAS: 2088113-98-6
CID: 134694318
Formula: C24H28N4O3
MW: 420.5
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight420.5
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass420.21614077
Monoisotopic Mass420.21614077
Topological Polar Surface Area99.4 Ų
Heavy Atom Count31
Formal Charge0
Complexity585
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
BUP12857-01AZ32

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CatalogName
BA3716-10AZ31
A16813-50AZ31 50mg
A16813-2AZ31 2mg
A16813-25AZ31 25mg
A16813-10AZ31 10mg
A16813-5AZ31 5mg
A16813-10mM-DAZ31 10mM * 1mL in DMSO

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