Name: Name:N-[6-[6-Chloro-5-[[(4-fluorophenyl)sulfonyl]aMino]-3-pyridinyl]-1,3-benzothiazol-2-yl]acetaMide
Brand: Angene
SKU: AG003SN7
Rating: 90 (10 reviews)

N-[6-[6-Chloro-5-[[(4-fluorophenyl)sulfonyl]aMino]-3-pyridinyl]-1,3-benzothiazol-2-yl]acetaMide

CAS No.:

1112980-86-5

Catalog Number:

AG003SN7

Molecular Formula:

C20H14ClFN4O3S2

Molecular Weight:

476.9316

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Product Description

Catalog Number:

AG003SN7

Chemical Name:

N-[6-[6-Chloro-5-[[(4-fluorophenyl)sulfonyl]aMino]-3-pyridinyl]-1,3-benzothiazol-2-yl]acetaMide

CAS Number:

1112980-86-5

Molecular Formula:

C20H14ClFN4O3S2

Molecular Weight:

476.9316

MDL Number:

MFCD19443166

IUPAC Name:

N-[6-[6-chloro-5-[(4-fluorophenyl)sulfonylamino]pyridin-3-yl]-1,3-benzothiazol-2-yl]acetamide

InChI:

InChI=1S/C20H14ClFN4O3S2/c1-11(27)24-20-25-16-7-2-12(9-18(16)30-20)13-8-17(19(21)23-10-13)26-31(28,29)15-5-3-14(22)4-6-15/h2-10,26H,1H3,(H,24,25,27)

InChI Key:

YGBMCLDVRUGXOV-UHFFFAOYSA-N

SMILES:

CC(=O)Nc1nc2c(s1)cc(cc2)c1cnc(c(c1)NS(=O)(=O)c1ccc(cc1)F)Cl

Properties

Complexity:

747

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

476.018g/mol

Formal Charge:

Heavy Atom Count:

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Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

476.925g/mol

Monoisotopic Mass:

476.018g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

138A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Synthesis and structure-activity relationships of dual PI3K/mTOR inhibitors based on a 4-amino-6-methyl-1,3,5-triazine sulfonamide scaffold.	Bioorganic & medicinal chemistry letters 20120901
Structure-activity relationships of phosphoinositide 3-kinase (PI3K)/mammalian target of rapamycin (mTOR) dual inhibitors: investigations of various 6,5-heterocycles to improve metabolic stability.	Journal of medicinal chemistry 20110728
Phospshoinositide 3-kinase (PI3K)/mammalian target of rapamycin (mTOR) dual inhibitors: discovery and structure-activity relationships of a series of quinoline and quinoxaline derivatives.	Journal of medicinal chemistry 20110714
Discovery and optimization of a series of benzothiazole phosphoinositide 3-kinase (PI3K)/mammalian target of rapamycin (mTOR) dual inhibitors.	Journal of medicinal chemistry 20110324