JK184

CAT: 0127-BUP09972-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP09972-02Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

315703-52-7

Purity

=98%

Smiles

CCOc1ccc(Nc2nc(cs2)-c2c(C)nc3ccccn23)cc1

Chemical Information

JK184

structure in first source

CAS Number	315703-52-7
PubChem CID	1069686
IUPAC Name	N-(4-ethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine
Molecular Formula	C19H18N4OS
Molecular Weight	350.4
XLogP	5.1
Topological Polar Surface Area	79.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	25
Formal Charge	0
Complexity	432

SMILES

CCOC1=CC=C(C=C1)NC2=NC(=CS2)C3=C(N=C4N3C=CC=C4)C

InChI

InChI=1S/C19H18N4OS/c1-3-24-15-9-7-14(8-10-15)21-19-22-16(12-25-19)18-13(2)20-17-6-4-5-11-23(17)18/h4-12H,3H2,1-2H3,(H,21,22)

InChIKey

ROYXIPOUVGDTAO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 315703-52-7

CID: 1069686

Formula: C19H18N4OS

MW: 350.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	350.4
XLogP3	5.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	350.12013238
Monoisotopic Mass	350.12013238
Topological Polar Surface Area	79.7 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	432
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
S6565-01	JK184
bs-60087C-01	JK184 --- Hedgehog Antagonist
MBS131514	JK184 (JK-184; JK 184)
sc-202649	Hh Signaling Antagonist VII, JK184