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ID-8

CAT: 0013-GTR19153652-03Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19153652-03Size:1 g
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Description
ID-8 is a DYRK inhibitor, and sustains embryonic stem cell self-renewal in long-term culture.
CAS Number
147591-46-6
Purity
>98%
Smiles
[2H]I
Molecular Formula
HI
Molecular Weight
128.918574094772
Notes
For research use only.

Chemical Information

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

ID-8 is a DYRK inhibitor.

CAS Number147591-46-6
PubChem CID791637
IUPAC Name1-(4-methoxyphenyl)-2-methyl-3-nitroindol-6-ol
Molecular FormulaC16H14N2O4
Molecular Weight298.29
XLogP3.5
Topological Polar Surface Area80.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity405
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
2D structure of 1-(4-Methoxyphenyl)-2-methyl-3-nitro-1H-indol-6-ol
CAS: 147591-46-6
CID: 791637
Formula: C16H14N2O4
MW: 298.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight298.29
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass298.09535693
Monoisotopic Mass298.09535693
Topological Polar Surface Area80.2 Ų
Heavy Atom Count22
Formal Charge0
Complexity405
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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255487-01ID 8

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