PD173955

CAT: 0127-BUP08374-04Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP08374-04Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

260415-63-2

Synonyms

PD-173955, PD 173955

Purity

=98%

Smiles

CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1

Chemical Information

PD173955

PD173955 is a dichlorobenzene, an aryl sulfide, a pyridopyrimidine and a methyl sulfide. It has a role as a tyrosine kinase inhibitor.

CAS Number	260415-63-2
PubChem CID	447077
IUPAC Name	6-(2,6-dichlorophenyl)-8-methyl-2-(3-methylsulfanylanilino)pyrido[2,3-d]pyrimidin-7-one
Molecular Formula	C21H16Cl2N4OS
Molecular Weight	443.3
XLogP	5.4
Topological Polar Surface Area	83.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	29
Formal Charge	0
Complexity	626

SMILES

CN1C2=NC(=NC=C2C=C(C1=O)C3=C(C=CC=C3Cl)Cl)NC4=CC(=CC=C4)SC

InChI

InChI=1S/C21H16Cl2N4OS/c1-27-19-12(9-15(20(27)28)18-16(22)7-4-8-17(18)23)11-24-21(26-19)25-13-5-3-6-14(10-13)29-2/h3-11H,1-2H3,(H,24,25,26)

InChIKey

VAARYSWULJUGST-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 260415-63-2

CID: 447077

Formula: C21H16Cl2N4OS

MW: 443.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	443.3
XLogP3	5.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	442.0421877
Monoisotopic Mass	442.0421877
Topological Polar Surface Area	83.4 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	626
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
BUP01008-01	PD173952