Tlr7/8 Agonist 1

CAT: 0127-OR1023310-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1023310-01Size:100 mg

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CAS Number

1258457-59-8

Synonyms

1-[[4- (aminomethyl) phenyl]methyl]-2-butylimidazo[4,5-c]quinolin-4-amine

Purity

98%

Smiles

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)CN)C4=CC=CC=C4N=C2N

Chemical Information

1-[[4-(Aminomethyl)phenyl]methyl]-2-Butyl-Imidazo[4,5-C]quinolin-4-Amine

CAS Number	1258457-59-8
PubChem CID	52945312
IUPAC Name	1-[[4-(aminomethyl)phenyl]methyl]-2-butylimidazo[4,5-c]quinolin-4-amine
Molecular Formula	C22H25N5
Molecular Weight	359.5
XLogP	3.5
Topological Polar Surface Area	82.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	27
Formal Charge	0
Complexity	464

SMILES

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)CN)C4=CC=CC=C4N=C2N

InChI

InChI=1S/C22H25N5/c1-2-3-8-19-26-20-21(17-6-4-5-7-18(17)25-22(20)24)27(19)14-16-11-9-15(13-23)10-12-16/h4-7,9-12H,2-3,8,13-14,23H2,1H3,(H2,24,25)

InChIKey

SDSKFWHQCNBICO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1258457-59-8

CID: 52945312

Formula: C22H25N5

MW: 359.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	359.5
XLogP3	3.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	359.21099582
Monoisotopic Mass	359.21099582
Topological Polar Surface Area	82.8 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	464
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BUP08956-01	TLR7/8 agonist 3
BUP05114-01	TLR7 agonist 2
BUP02900-01	TLR7 agonist 3
BUP00749-01	TLR7/8-IN-1
BUP09492-01	TLR7/8/9-IN-1
BUP10275-01	Nurr1 agonist 8
BUP20182-01	APJ receptor agonist 8
BUP20446-01	MC-Val-Cit-PAB-Amide-TLR7 agonist 4 TFA
BUP18625-01	Aß42 agonist-1
BUP23638-01	ERBB agonist-1