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INI-43

CAT: 0013-GTR19174628-04Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19174628-04Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
INI-43
CAS Number
881046-01-1
Product Name Alternative
AP-1, NFAT, NFY, NFκB, Kpnβ1, Kpnβ1 cargoes, inhibit, INI43, INI-43, INI 43, Inhibitor
Field of Research
Cell Biology, Molecular Biology
Purity
99.72% (May vary between batches)
Solubility
DMSO:3.86 mg/mL (10.01 mM)
Smiles
CN (C) CCCn1c (N) c (-c2nc3ccccc3[nH]2) c2nc3ccccc3nc12
Molecular Formula
C22H23N7
Molecular Weight
385.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-(1H-benzimidazol-2-yl)-1-(3-(dimethylamino)propyl)pyrrolo(3,2-b)quinoxalin-2-amine
CAS Number881046-01-1
PubChem CID4910351
IUPAC Name3-(1H-benzimidazol-2-yl)-1-[3-(dimethylamino)propyl]pyrrolo[3,2-b]quinoxalin-2-amine
Molecular FormulaC22H23N7
Molecular Weight385.5
XLogP2.9
Topological Polar Surface Area88.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity557
SMILES
CN(C)CCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C4=NC5=CC=CC=C5N4)N
InChI
InChI=1S/C22H23N7/c1-28(2)12-7-13-29-20(23)18(21-25-15-9-4-5-10-16(15)26-21)19-22(29)27-17-11-6-3-8-14(17)24-19/h3-6,8-11H,7,12-13,23H2,1-2H3,(H,25,26)
InChIKey
LWPQQQAILAUWTI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(1H-benzimidazol-2-yl)-1-(3-(dimethylamino)propyl)pyrrolo(3,2-b)quinoxalin-2-amine
CAS: 881046-01-1
CID: 4910351
Formula: C22H23N7
MW: 385.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight385.5
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass385.20149376
Monoisotopic Mass385.20149376
Topological Polar Surface Area88.7 Ų
Heavy Atom Count29
Formal Charge0
Complexity557
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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