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YC 170

CAT: 0013-GTR19192272Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19192272Size:25 mg
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Description
YC 170 is a biochemical compound utilized in research applications. It serves as a tool for in vitro and in vivo studies, particularly in the fields of biochemistry and cellular signaling pathway investigation.
CAS Number
59946-73-5
Smiles
O=C (OCCC1=NC=CC=C1) C2=C (NC (=C (C (=O) NC=3C=CC=CC3) C2C=4C=CC=CC4Cl) C) C
Molecular Formula
C28H26ClN3O3
Molecular Weight
487.98
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(2-Pyridinyl)ethyl 4-(2-chlorophenyl)-1,4-dihydro-2,6-dimethyl-5-((phenylamino)carbonyl)-3-pyridinecarboxylate

YC 170 is an anilide.

CAS Number59946-73-5
PubChem CID173708
IUPAC Name2-pyridin-2-ylethyl 4-(2-chlorophenyl)-2,6-dimethyl-5-(phenylcarbamoyl)-1,4-dihydropyridine-3-carboxylate
Molecular FormulaC28H26ClN3O3
Molecular Weight488.0
XLogP5.1
Topological Polar Surface Area80.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count35
Formal Charge0
Complexity833
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OCCC2=CC=CC=N2)C3=CC=CC=C3Cl)C(=O)NC4=CC=CC=C4
InChI
InChI=1S/C28H26ClN3O3/c1-18-24(27(33)32-21-11-4-3-5-12-21)26(22-13-6-7-14-23(22)29)25(19(2)31-18)28(34)35-17-15-20-10-8-9-16-30-20/h3-14,16,26,31H,15,17H2,1-2H3,(H,32,33)
InChIKey
YGKDFWHVQNDMLG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-Pyridinyl)ethyl 4-(2-chlorophenyl)-1,4-dihydro-2,6-dimethyl-5-((phenylamino)carbonyl)-3-pyridinecarboxylate
CAS: 59946-73-5
CID: 173708
Formula: C28H26ClN3O3
MW: 488.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight488.0
XLogP35.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass487.1662694
Monoisotopic Mass487.1662694
Topological Polar Surface Area80.3 Ų
Heavy Atom Count35
Formal Charge0
Complexity833
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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