AG0000SX

1000669-72-6 | Methanone, [4-[2-(1H-indazol-3-yl)ethenyl]phenyl]-1-piperazinyl-

AG0000SX

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CAS Number	1000669-72-6
Catalog Number	AG0000SX(AGN-PC-0OPDP3)
Chemical Name	Methanone, [4-[2-(1H-indazol-3-yl)ethenyl]phenyl]-1-piperazinyl-
IUPAC Name	[4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-piperazin-1-ylmethanone
InChI	InChI=1S/C20H20N4O/c25-20(24-13-11-21-12-14-24)16-8-5-15(6-9-16)7-10-19-17-3-1-2-4-18(17)22-23-19/h1-10,21H,11-14H2,(H,22,23)/b10-7+
InChI Key	YYLKKYCXAOBSRM-JXMROGBWSA-N
MDL Number	MFCD18385006
Molecular Formula	C20H20N4O
Molecular Weight	332.3990
SMILES	N1N=C(C2=CC=CC=C12)C=CC1=CC=C(C=C1)C(=O)N1CCNCC1
UNII	2D9N67F58G
Synonyms	KW 2449, KW-2449, KW2449, KW-2449, 1000669-72-6, KW 2449, KW2449, UNII-2D9N67F58G, CHEMBL1908397, 2D9N67F58G, (E)-(4-(2-(1H-Indazol-3-yl)vinyl)-phenyl)(piperazin-1-yl)methanone, (E)-(4-(2-(1H-indazol-3-yl)vinyl)phenyl)(piperazin-1-yl)methanone, J-502761, [4-[2-(1H-Indazol-3-yl)ethenyl]phenyl]-1-piperazinylmethanone, [4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-piperazin-1-ylmethanone, Methanone, (4-(2-(1H-indazol-3-yl)ethenyl)phenyl)-1-piperazinyl-, Methanone, [4-[2-(1H-indazol-3-yl)ethenyl]phenyl]-1-piperazinyl-, YYLKKYCXAOBSRM-JXMROGBWSA-N, (E)-(4-(2-(1H-Indazol-3-yl)vinyl)phenyl)(piperazin-1-yl)methanone hydrochloride, KW-2449 Hydrochloride, MLS006011271, GTPL5691, SCHEMBL1596894, SCHEMBL1596897, CHEBI:91441, BCP02848, EX-A2306, BDBM50355496, MFCD18385006, s2158, ZINC43201999, AKOS027460993, BCP9000826, CS-0231, RL00013, SB19381, NCGC00346569-07, 841258-76-2, AC-28419, HY-10339, SMR004703021, SW219852-1, X7371, W-5753, (E)-1-{4-[2-(1H-indazol-3-yl)vinyl]benzoyl}piperazine, 1000669-72-6 , KW 2449, KW-2449, 3-[(E)-2-[4-(piperazine-1-carbonyl)phenyl]ethenyl]-1H-indazole, Piperazine, 1-(4-((1E)-2-(1H-indazol-3-yl)ethenyl)benzoyl)-, (4-((1E)-2-(1H-Indazol-3-yl)ethenyl)phenyl)-1-piperazinylmethanone, 3-[(E)-2-{4-[(piperazin-1-yl)carbonyl]phenyl}ethenyl]-2H-indazole, 841259-17-4, D00ABO, cc-533, C20H20N4O, CID11427553, Tumor antigen-specific mAb (cancer), Kyowa, A10508, [4-[(1E)-2-(1H-Indazol-3-yl)ethenyl]phenyl]-1-piperazinylmethanone, [4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-piperazin-1-yl-methanone, Tumor antigen-specific monoclonal antibody (cancer), Kyowa Hakko Kirin, Tumor antigen-specific monoclonal antibody (cancer), Kyowa Hakko Kogyo,

Complexity	480
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	332.164g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	332.407g/mol
Monoisotopic Mass	332.164g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	61A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

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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