TG53

CAT: 0926-WMB36904-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-WMB36904-02Size:25 mg

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

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CAS Number

946369-04-6

Smiles

CC1=CC (=NC (=N1) NC2=CC=C (C=C2) NC (=O) C3=C (C=CC (=C3) Cl) OC) N (C) C

Molecular Formula

C21H22ClN5O2

Molecular Weight

411.9 g/mol

Controlled

Chemical Information

5-chloro-N-(4-((4-(dimethylamino)-6-methylpyrimidin-2-yl)amino)phenyl)-2-methoxybenzamide

CAS Number	946369-04-6
PubChem CID	27478270
IUPAC Name	5-chloro-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-methoxybenzamide
Molecular Formula	C21H22ClN5O2
Molecular Weight	411.9
XLogP	4.4
Topological Polar Surface Area	79.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	29
Formal Charge	0
Complexity	529

SMILES

CC1=CC(=NC(=N1)NC2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)Cl)OC)N(C)C

InChI

InChI=1S/C21H22ClN5O2/c1-13-11-19(27(2)3)26-21(23-13)25-16-8-6-15(7-9-16)24-20(28)17-12-14(22)5-10-18(17)29-4/h5-12H,1-4H3,(H,24,28)(H,23,25,26)

InChIKey

JHHHSGYKBKIUBG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 946369-04-6

CID: 27478270

Formula: C21H22ClN5O2

MW: 411.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	411.9
XLogP3	4.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	411.1462027
Monoisotopic Mass	411.1462027
Topological Polar Surface Area	79.4 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	529
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
T26265-01	TG53