NS-1643 200mg

CAT: 0628-A15929-200Size: 200 mgDry Ice: NoHazardous: No

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CAT#:0628-A15929-200Size:200 mg

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CAS Number

448895-37-2

Chemical Information

NS-1643

an antiarrhythmic agent that activates HERG channels; structure in first source

CAS Number	448895-37-2
PubChem CID	10177784
IUPAC Name	1,3-bis[2-hydroxy-5-(trifluoromethyl)phenyl]urea
Molecular Formula	C15H10F6N2O3
Molecular Weight	380.24
XLogP	3.5
Topological Polar Surface Area	81.6
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	2
Heavy Atom Count	26
Formal Charge	0
Complexity	457

SMILES

C1=CC(=C(C=C1C(F)(F)F)NC(=O)NC2=C(C=CC(=C2)C(F)(F)F)O)O

InChI

InChI=1S/C15H10F6N2O3/c16-14(17,18)7-1-3-11(24)9(5-7)22-13(26)23-10-6-8(15(19,20)21)2-4-12(10)25/h1-6,24-25H,(H2,22,23,26)

InChIKey

NJFVQMRYJZHGME-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 448895-37-2

CID: 10177784

Formula: C15H10F6N2O3

MW: 380.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	380.24
XLogP3	3.5
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	2
Exact Mass	380.05956116
Monoisotopic Mass	380.05956116
Topological Polar Surface Area	81.6 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	457
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
B7260-10	NS 1643
526648	NS-1643
MD11001B	RPMI 1643
33-777	CFTR Antibody [CFTR/1643]
366904	NS-398 (NS398, NS 398)
MBS131365	NS-398 (NS 398; NS398)
abx060541	HCV Nucleocapsid / NS-3 / NS-4 / NS-5 Protein
PR-1121	HAV-P3C (residues 1643-1743)
GTR18026447	NS Antibody
B6514-100	NS 398