LDN-57444 10mg

CAT: 0628-A12715-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0628-A12715-10Size:10 mg

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CAS Number

668467-91-2

Chemical Information

Ldn-57444

inhibitor of ubiquitin C-terminal hydrolase-L1; structure in first source

CAS Number	668467-91-2
PubChem CID	16760696
IUPAC Name	[(Z)-[5-chloro-1-[(2,5-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetate
Molecular Formula	C17H11Cl3N2O3
Molecular Weight	397.6
XLogP	4.6
Topological Polar Surface Area	59
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	25
Formal Charge	0
Complexity	571

SMILES

CC(=O)O/N=C\1/C2=C(C=CC(=C2)Cl)N(C1=O)CC3=C(C=CC(=C3)Cl)Cl

InChI

InChI=1S/C17H11Cl3N2O3/c1-9(23)25-21-16-13-7-12(19)3-5-15(13)22(17(16)24)8-10-6-11(18)2-4-14(10)20/h2-7H,8H2,1H3/b21-16-

InChIKey

OPQRFPHLZZPCCH-PGMHBOJBSA-N

Chemical Structure

2D Structure

CAS: 668467-91-2

CID: 16760696

Formula: C17H11Cl3N2O3

MW: 397.6

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	397.6
XLogP3	4.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	395.983525
Monoisotopic Mass	395.983525
Topological Polar Surface Area	59 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	571
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
TBB46791-01	LDN-57444
A4003-50	LDN 57444