JTE 013

CAT: 0926-IQA15041-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-IQA15041-01Size:50 mg

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CAS Number

383150-41-2

MDL Number

MFCD09878275

Smiles

CC1=NN (C2=C1C (=CC (=N2) NNC (=O) NC3=CC (=NC (=C3) Cl) Cl) C (C) C) C

Molecular Formula

C17H19N7OCl2

Molecular Weight

408.29 g/mol

Controlled

Chemical Information

Jte 013

an Edg-5 antagonist

CAS Number	383150-41-2
PubChem CID	10223146
IUPAC Name	1-(2,6-dichloro-4-pyridinyl)-3-[(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)amino]urea
Molecular Formula	C17H19Cl2N7O
Molecular Weight	408.3
XLogP	4.4
Topological Polar Surface Area	96.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	27
Formal Charge	0
Complexity	516

SMILES

CC1=NN(C2=C1C(=CC(=N2)NNC(=O)NC3=CC(=NC(=C3)Cl)Cl)C(C)C)C

InChI

InChI=1S/C17H19Cl2N7O/c1-8(2)11-7-14(22-16-15(11)9(3)25-26(16)4)23-24-17(27)20-10-5-12(18)21-13(19)6-10/h5-8H,1-4H3,(H,22,23)(H2,20,21,24,27)

InChIKey

RNSLRQNDXRSASX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 383150-41-2

CID: 10223146

Formula: C17H19Cl2N7O

MW: 408.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	408.3
XLogP3	4.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	407.1028136
Monoisotopic Mass	407.1028136
Topological Polar Surface Area	96.8 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	516
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
BJ168569-01	JTE 952
NHA79109-01	Jte 607 dihydrochloride
EE179257-01	EUCODIS® Lipase 013, screening grade, recombinant, from microbial sources - EL013
CPA65823-01	(13-Hydroxy-14,14,18-trimethyl-9-oxo-4,10-dioxapentacyclo[9.7.1.03,7.08,19.013,18]nonadeca-3 (7),5-dien-17-yl) acetate
JCA88589-01	(1R,2R,5R,8S,9R,10R,13R,17S) -2,9-Dihydroxy-1,13-dimethyl-6-methylidene-11-oxapentacyclo[8.6.1.15,8.02,8.013,17]octadecane-7,12-dione
BC165662-01	CBL 0137

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