NCG21

CAT: 0013-GTR19196970-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19196970-02Size:50 mg

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Description

NCG21

CAS Number

1079821-35-4

Field of Research

Metabolism Research, Pharmacology & Drug Discovery

Smiles

O=C (O) CCCC1=CC=C (OCCN (C2=NC=CC=C2) C=3C=CC=CC3) C=C1

Molecular Formula

C23H24N2O3

Molecular Weight

376.45

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

4-(4-(2-(Phenyl-2-pyridinylamino)ethoxy)phenyl)butyric acid

a GPR120 agonist; structure in first source

CAS Number	1079821-35-4
PubChem CID	25098573
IUPAC Name	4-[4-[2-(N-pyridin-2-ylanilino)ethoxy]phenyl]butanoic acid
Molecular Formula	C23H24N2O3
Molecular Weight	376.4
XLogP	4.6
Topological Polar Surface Area	62.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	10
Heavy Atom Count	28
Formal Charge	0
Complexity	445

SMILES

C1=CC=C(C=C1)N(CCOC2=CC=C(C=C2)CCCC(=O)O)C3=CC=CC=N3

InChI

InChI=1S/C23H24N2O3/c26-23(27)11-6-7-19-12-14-21(15-13-19)28-18-17-25(20-8-2-1-3-9-20)22-10-4-5-16-24-22/h1-5,8-10,12-16H,6-7,11,17-18H2,(H,26,27)

InChIKey

WQXHZCYCKCQFQP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1079821-35-4

CID: 25098573

Formula: C23H24N2O3

MW: 376.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	376.4
XLogP3	4.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	10
Exact Mass	376.17869263
Monoisotopic Mass	376.17869263
Topological Polar Surface Area	62.7 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	445
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

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Catalog	Name
T28140-01	NCG21

NCG21

Chemical Information

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