ID 8-d3

CAT: 0926-XFA59146-02Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-XFA59146-02Size:100 mg

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

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CAS Number

147591-46-6

MDL Number

MFCD00593367

Smiles

CC1=C (C2=C (N1C3=CC=C (C=C3) OC) C=C (C=C2) O) [N+] (=O) [O-]

Molecular Formula

C16H11D3N2O4

Molecular Weight

301.31 g/mol

Controlled

Chemical Information

1-(4-Methoxyphenyl)-2-methyl-3-nitro-1H-indol-6-ol

ID-8 is a DYRK inhibitor.

CAS Number	147591-46-6
PubChem CID	791637
IUPAC Name	1-(4-methoxyphenyl)-2-methyl-3-nitroindol-6-ol
Molecular Formula	C16H14N2O4
Molecular Weight	298.29
XLogP	3.5
Topological Polar Surface Area	80.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	22
Formal Charge	0
Complexity	405

SMILES

CC1=C(C2=C(N1C3=CC=C(C=C3)OC)C=C(C=C2)O)[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O4/c1-10-16(18(20)21)14-8-5-12(19)9-15(14)17(10)11-3-6-13(22-2)7-4-11/h3-9,19H,1-2H3

InChIKey

VVZNWYXIOADGSW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 147591-46-6

CID: 791637

Formula: C16H14N2O4

MW: 298.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	298.29
XLogP3	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	298.09535693
Monoisotopic Mass	298.09535693
Topological Polar Surface Area	80.2 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	405
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

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