NI-42 10mg

CAT: 0628-A20599-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0628-A20599-10Size:10 mg

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CAS Number

1884640-99-6

Chemical Information

4-cyano-N-(1,3-dimethyl-2-oxo-1,2-dihydroquinolin-6-yl)benzenesulfonamide

inhibits bromodomain and PHD finger-containing proteins; structure in first source

CAS Number	1884640-99-6
PubChem CID	118933132
IUPAC Name	4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide
Molecular Formula	C18H15N3O3S
Molecular Weight	353.4
XLogP	2.1
Topological Polar Surface Area	98.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	25
Formal Charge	0
Complexity	708

SMILES

CC1=CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C#N)N(C1=O)C

InChI

InChI=1S/C18H15N3O3S/c1-12-9-14-10-15(5-8-17(14)21(2)18(12)22)20-25(23,24)16-6-3-13(11-19)4-7-16/h3-10,20H,1-2H3

InChIKey

BMVCSXFOQPYKKC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1884640-99-6

CID: 118933132

Formula: C18H15N3O3S

MW: 353.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	353.4
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	353.08341252
Monoisotopic Mass	353.08341252
Topological Polar Surface Area	98.7 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	708
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
ICM007 00100	MuLi Element Standard Solution For ICP 9 Components; 10mg/L Each Of Fe ; Pb ; Cu ; Cr ; Co ; Mg ; Mn ; Ni ; Mo In 5% HNO3 Traceable To NIST - 10ppm
BA4728-5	NI-42
JAD64099-01	NI 42
HY-101121R	NI-42 (Standard)
AM31707AF-N	Human IgG, IgA, IgM, IgD, IgE Mouse Monoclonal Antibody [Clone ID: NI 335 and NI 343, NI 69 and NI 184, NI 179, NI 158, NI 307]
HY-P991602	NI-1201
HY-P991412	NI-301
HY-P991249	NI-203
HY-P990639	NI-0801
HY-139701	NI-Pano