Tyk2-IN-7 50mg

CAT: 0628-A21491-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A21491-50Size:50 mg

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CAS Number

1609391-90-3

Chemical Information

Tyk2-IN-7

CAS Number	1609391-90-3
PubChem CID	138911330
IUPAC Name	4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
Molecular Formula	C18H18N6O3S
Molecular Weight	401.5
XLogP	1.9
Topological Polar Surface Area	134
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Heavy Atom Count	28
Formal Charge	0
Complexity	625

SMILES

[2H]C([2H])([2H])NC(=O)C1=NN=C(C=C1NC2=CC=CC=C2S(=O)(=O)C)NC3=CC=CC=N3

InChI

InChI=1S/C18H18N6O3S/c1-19-18(25)17-13(21-12-7-3-4-8-14(12)28(2,26)27)11-16(23-24-17)22-15-9-5-6-10-20-15/h3-11H,1-2H3,(H,19,25)(H2,20,21,22,23)/i1D3

InChIKey

KUHISBZXQSKCLH-FIBGUPNXSA-N

Chemical Structure

2D Structure

CAS: 1609391-90-3

CID: 138911330

Formula: C18H18N6O3S

MW: 401.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	401.5
XLogP3	1.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Exact Mass	401.13493987
Monoisotopic Mass	401.13493987
Topological Polar Surface Area	134 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	625
Isotope Atom Count	3
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
QUEB02X35YYA	AOAC 2007.01PSA/C18/GCB Clean-up tube: 150mgMgSO4 50mg PSA 50mg C18 7.5mg GCB
QUEB02X35YHA	QuEChERS Extraction PouchAOAC 2007.01PSA/C18/GCB Clean-up tube: 150mgMgSO4 50mg PSA 50mg C18 7.5mg GCB2ml (1ml sample)
BA4916-5	Tyk2-IN-7
529405-01	TYK2
GTR17882320-01	TYK2 Antibody
BA4909-5.1	Tyk2-IN-5
BA4906-1	TyK2-IN-2
CKD10985-01	Tyk2-in-9
HY-18709	Tyk2-IN-3
HY-163305	Tyk2-IN-17