TGR5-Receptor-Agonist 5mg

CAT: 0628-A13732-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0628-A13732-5Size:5 mg

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CAS Number

1197300-24-5

Chemical Information

TGR5 Receptor Agonist

CAS Number	1197300-24-5
PubChem CID	44605616
IUPAC Name	3-(2-chlorophenyl)-N-(4-chlorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
Molecular Formula	C18H14Cl2N2O2
Molecular Weight	361.2
XLogP	4.7
Topological Polar Surface Area	46.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	24
Formal Charge	0
Complexity	443

SMILES

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N(C)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H14Cl2N2O2/c1-11-16(17(21-24-11)14-5-3-4-6-15(14)20)18(23)22(2)13-9-7-12(19)8-10-13/h3-10H,1-2H3

InChIKey

IGRCWJPBLWGNPX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1197300-24-5

CID: 44605616

Formula: C18H14Cl2N2O2

MW: 361.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	361.2
XLogP3	4.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	360.0432331
Monoisotopic Mass	360.0432331
Topological Polar Surface Area	46.3 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	443
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
A13732-100	TGR5-Receptor-Agonist 100mg
A13732-50	TGR5-Receptor-Agonist 50mg
A13732-25	TGR5-Receptor-Agonist 25mg
A13732-10	TGR5-Receptor-Agonist 10mg
A13732-1	TGR5-Receptor-Agonist 1mg
A13732-10mM-D	TGR5-Receptor-Agonist 10mM * 1mL in DMSO
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A20461-5	S1p receptor agonist 1 5mg

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