AG00DF68

552309-42-9 | TMEM16AInhibitorsRevealTMEM16A(T16Ainh-A01)

AG00DF68

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CAS Number	552309-42-9
Catalog Number	AG00DF68(AGN-PC-0WAG12)
Chemical Name	TMEM16AInhibitorsRevealTMEM16A(T16Ainh-A01)
IUPAC Name	2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
InChI	InChI=1S/C19H20N4O3S2/c1-4-14-11(2)20-18(23-17(14)25)28-10-16(24)22-19-21-15(9-27-19)12-5-7-13(26-3)8-6-12/h5-9H,4,10H2,1-3H3,(H,20,23,25)(H,21,22,24)
InChI Key	QSIYTNYMBWYHAA-UHFFFAOYSA-N
MDL Number	MFCD03278952
Molecular Formula	C19H20N4O3S2
Molecular Weight	416.5171
SMILES	O=C(NC1=NC(C2=CC=C(OC)C=C2)=CS1)CSC3=NC(C)=C(CC)C(N3)=O
Synonyms	T16AInh-A01, 552309-42-9, t16a(inh)-a01, T16Ainh - A01, T16AInh-A01, 2-((5-Ethyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio)-N-(4-(4-methoxyphenyl)thiazol-2-yl)acetamide, 2-[(5-Ethyl-1,6-dihydro-4-methyl-6-oxo-2-pyrimidinyl)thio]-N-[4-(4-methoxyphenyl)-2-thiazolyl]acetamide, C19H20N4O3S2, ASN 05021704, AC1MLDS9, Oprea1_393059, Oprea1_490830, MLS000714464, CHEMBL1299863, SCHEMBL16504337, AOB1134, SYN5041, HMS2696F08, ZINC5021635, AKOS000697276, AKOS016023818, AKOS027320699, MCULE-6357949756, KS-0000184Y, AS-16407, SMR000274443, T16Ainh-A01, >=95% (HPLC), BB0263143, HY-100612, B5635, BB 0263143, VU0462191-1, 2-(5-ethyl-4-hydroxy-6-methylpyrimidin-2-ylthio)-N-(4-(4-methoxyphenyl)thiazol-2-yl)acetamide, 2-[(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide, N-[4-(4-Methoxyphenyl)thiazole-2-yl]-2-(4-hydroxy-5-ethyl-6-methylpyrimidine-2-ylthio)acetamide, QSIYTNYMBWYHAA-UHFFFAOYSA-N, CID3193184, A15470, C578466,

Complexity	660
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	416.098g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	416.514g/mol
Monoisotopic Mass	416.098g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	146A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
UN Code

Certificate of Analysis

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