AG003ODK

314045-39-1 | BIS-2-(5-PHENYLACETAMIDO-1,3,4-THIADIAZOL-2-YL)ETHYL SULFIDE

AG003ODK

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CAS Number	314045-39-1
Catalog Number	AG003ODK(AGN-PC-0WACM4)
Chemical Name	BIS-2-(5-PHENYLACETAMIDO-1,3,4-THIADIAZOL-2-YL)ETHYL SULFIDE
IUPAC Name	2-phenyl-N-[5-[2-[2-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]acetamide
InChI	InChI=1S/C24H24N6O2S3/c31-19(15-17-7-3-1-4-8-17)25-23-29-27-21(34-23)11-13-33-14-12-22-28-30-24(35-22)26-20(32)16-18-9-5-2-6-10-18/h1-10H,11-16H2,(H,25,29,31)(H,26,30,32)
InChI Key	MDJIPXYRSZHCFS-UHFFFAOYSA-N
MDL Number	MFCD01079848
Molecular Formula	C24H24N6O2S3
Molecular Weight	524.6814
SMILES	O=C(NC1=NN=C(CCSCCC2=NN=C(NC(CC3=CC=CC=C3)=O)S2)S1)CC4=CC=CC=C4
Synonyms	BPTES, 314045-39-1, 3uo9, Bis-2-(5-phenylacetamido-1,3,4-thiadiazol-2-yl)ethyl sulfide, CHEMBL2177757, 2,2'-(5,5'-(2,2'-thiobis(ethane-2,1-diyl))bis(1,3,4-thiadiazole-5,2-diyl))bis(azanediyl)bis(1-phenylethanone), 2-phenyl-N-[5-[2-[2-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]acetamide, N,N'-[sulfanediylbis(Ethane-2,1-Diyl-1,3,4-Thiadiazole-5,2-Diyl)]bis(2-Phenylacetamide), 4jkt, 04A, AC1MONOY, SCHEMBL2640644, Glutaminase Inhibitor II BPTES, BCP15991, BPTES, >=95% (HPLC), EX-A2297, ZINC4426660, BDBM50400050, MFCD01079848, s7753, AKOS027470168, CS-4586, KS-0000028I, AC-29967, AK546663, HY-12683, A14954, US8604016, 1, Bis[2-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazole-2-yl]ethyl] sulfide, (N,N'-[thiobis(2,1-ethanediyl-1,3,4-thiadiazole-5,2-diyl)]bisbenzeneacetamide), N,N'-((thiobis(ethane-2,1-diyl))bis(1,3,4-thiadiazole-5,2-diyl))bis(2-phenylacetamide), N,N'-[Thiobis(2,1-ethanediyl-1,3,4-thiadiazole-5,2-diyl)]bis[benzeneacetamide], N,N'-[Thiobis(2,1-ethanediyl-1,3,4-thiadiazole-5,2-diyl)]bisbenzeneacetamide, 2,2-(5,5-(2,2-thiobis(ethane-2,1-diyl))bis(1,3,4-thiadiazole-5,2-diyl))bis(azanediyl)bis(1-phenylethanone), 2-phenyl-N-{5-[2-({2-[5-(2-phenylacetamido)-1,3,4-thiadiazol-2-yl]ethyl}sulfanyl)ethyl]-1,3,4-thiadiazol-2-yl}acetamide, ZINC04426660, CID3372016,

Complexity	609
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	524.112g/mol
Formal Charge	0
Heavy Atom Count	35
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	524.676g/mol
Monoisotopic Mass	524.112g/mol
Rotatable Bond Count	12
Topological Polar Surface Area	192A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4

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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