ML-193

CAT: 0127-BUP11528-03Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP11528-03Size:25 mg

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CAS Number

713121-80-3

Synonyms

CID 1261822

Purity

=95%

Smiles

Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cc(nc4c(C)cc(C)cc34)-c3ccccn3)cc2)c1C

Chemical Information

ML193

N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-6,8-dimethyl-2-(2-pyridinyl)-4-quinolinecarboxamide is an aromatic amide.

CAS Number	713121-80-3
PubChem CID	1261822
IUPAC Name	N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-6,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxamide
Molecular Formula	C28H25N5O4S
Molecular Weight	527.6
XLogP	4.5
Topological Polar Surface Area	135
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Heavy Atom Count	38
Formal Charge	0
Complexity	921

SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=CC=N3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=C(C(=NO5)C)C)C

InChI

InChI=1S/C28H25N5O4S/c1-16-13-17(2)26-22(14-16)23(15-25(31-26)24-7-5-6-12-29-24)27(34)30-20-8-10-21(11-9-20)38(35,36)33-28-18(3)19(4)32-37-28/h5-15,33H,1-4H3,(H,30,34)

InChIKey

HTSLEZOTMYUPLU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 713121-80-3

CID: 1261822

Formula: C28H25N5O4S

MW: 527.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	527.6
XLogP3	4.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Exact Mass	527.16272547
Monoisotopic Mass	527.16272547
Topological Polar Surface Area	135 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	921
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

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C4531-10	ML-193
NDB12180-01	ML 193
A22553-25	ML-193 25mg
A22553-5	ML-193 5mg
A22553-10	ML-193 10mg
A22553-100	ML-193 100mg
A22553-50	ML-193 50mg
A22553-10mM-D	ML-193 10mM * 1mL in DMSO
BDE19301ZT10	BDE 193 10ug/ml in Iso-octane
BDE1931ZT1	BDE 193 100ug/ml in Iso-octane

ML-193

Chemical Information

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