AG00DB4T

487021-52-3 | 1-[(4-Methoxyphenyl)methyl]-3-(5-nitro-1,3-thiazol-2-yl)urea

AG00DB4T

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CAS Number	487021-52-3
Catalog Number	AG00DB4T(AGN-PC-0BSKCG)
Chemical Name	1-[(4-Methoxyphenyl)methyl]-3-(5-nitro-1,3-thiazol-2-yl)urea
IUPAC Name	1-[(4-methoxyphenyl)methyl]-3-(5-nitro-1,3-thiazol-2-yl)urea
InChI	InChI=1S/C12H12N4O4S/c1-20-9-4-2-8(3-5-9)6-13-11(17)15-12-14-7-10(21-12)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17)
InChI Key	YAEMHJKFIIIULI-UHFFFAOYSA-N
MDL Number	MFCD08277040
Molecular Formula	C12H12N4O4S
Molecular Weight	308.3131
SMILES	O=C(NC1=NC=C([N+]([O-])=O)S1)NCC2=CC=C(OC)C=C2
UNII	87KSH90Q6D
Synonyms	AR A014418, AR-A014418, GSK-3beta inhibitor VIII AR-A014418, N-(4-methoxybenzyl)-N'-(5-nitro-1,3-thiazol-2-yl)urea, AR-A014418, 487021-52-3, GSK-3beta Inhibitor VIII, 1-(4-methoxybenzyl)-3-(5-nitrothiazol-2-yl)urea, GSK-3|A Inhibitor VIII, 1-[(4-methoxyphenyl)methyl]-3-(5-nitro-1,3-thiazol-2-yl)urea, N-(4-METHOXYBENZYL)-N'-(5-NITRO-1,3-THIAZOL-2-YL)UREA, UNII-87KSH90Q6D, AR-A 014418, AR-AO 14418, SN 4521, 87KSH90Q6D, CHEMBL259850, MFCD08277040, AK175829, N-[(4-Methoxyphenyl)methyl]-N'-(5-nitro-2-thiazolyl)urea, InSolution™ GSK-3beta Inhibitor VIII, C12H12N4O4S, N-(4-Methoxybenzyl)-N′-(5-nitro-1,3-thiazol-2-yl)urea, AR 014418, GSK 3beta inhibitor VIII, AR-AO-14418, SN-4521, AR-A0-14418, Kinome_1268, 1q5k, GSK-3beta inhibitor VIII AR-A014418, AR-014418, GSK-3b, GSK-3b inhibitor VIII, AR-0133418, GSK-3? Inhibitor VIII, AC1L9LI6, SCHEMBL143499, GTPL5979, SCHEMBL14401217, CTK8E8886, DTXSID80332270, EX-A266, QCR-251, HMS3229G16, HMS3653F03, AOB33715, BCP07893, KS-00000T6T, Urea, N-((4-methoxyphenyl)methyl)-N'-(5-nitro-2-thiazolyl)-, ZINC3818778, 2224AH, BDBM50229962, BS0310, HSCI1_000278, IN1309, IN1316, s7435, AKOS024457901, CCG-206843, CS-1469, DB01950, SB19271, NCGC00371125-09, 4CA-0178, AM803946, BC600402, DA-42328, HY-10512, AR-A014418(GSK3|A Inhibitor VIII), AB0095652, RT-013127, FT-0662270, SW219711-1, A13728, AR-A014418, >=98% (HPLC), solid, W-5372, A014418, BRD-K67860401-001-01-5, BRD-K67860401-001-03-1, 1-(4-Methoxy-Benzyl)-3-(5-Nitro-Thiazol-2-Yl)-Urea, 1-(4-methoxybenzyl)-3-(5-nitro-1,3-thiazol-2-yl)urea, N-(4-METHOXYBENZYL)-N''-(5-NITRO-1,3-THIAZOL-2-YL)UREA, 871843-09-3, D0A3MV, Sid 7890811, CID448014, ACN-029565, AR A014418, A3184, C479831, Urea, N-[(4-methoxyphenyl)methyl]-N'-(5-nitro-2-thiazolyl)-, TMU,

Complexity	371
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	308.058g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	308.312g/mol
Monoisotopic Mass	308.058g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	137A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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