PD180970

CAT: 0127-BUP10468-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP10468-02Size:10 mg

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

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CAS Number

287204-45-9

Synonyms

PD 180970

Purity

=98%

Smiles

Cc1cc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)ccc1F

Chemical Information

PD-180970

inhibits p210(Bcr-Abl) tyrosine kinase; structure in first source

CAS Number	287204-45-9
PubChem CID	5311104
IUPAC Name	6-(2,6-dichlorophenyl)-2-(4-fluoro-3-methylanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one
Molecular Formula	C21H15Cl2FN4O
Molecular Weight	429.3
XLogP	5.4
Topological Polar Surface Area	58.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	29
Formal Charge	0
Complexity	640

SMILES

CC1=C(C=CC(=C1)NC2=NC=C3C=C(C(=O)N(C3=N2)C)C4=C(C=CC=C4Cl)Cl)F

InChI

InChI=1S/C21H15Cl2FN4O/c1-11-8-13(6-7-17(11)24)26-21-25-10-12-9-14(20(29)28(2)19(12)27-21)18-15(22)4-3-5-16(18)23/h3-10H,1-2H3,(H,25,26,27)

InChIKey

SLCFEJAMCRLYRG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 287204-45-9

CID: 5311104

Formula: C21H15Cl2FN4O

MW: 429.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	429.3
XLogP3	5.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	428.0606947
Monoisotopic Mass	428.0606947
Topological Polar Surface Area	58.1 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	640
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
HY-103274-01	PD180970