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Compound 3344

CAT: 1410-M24081-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1410-M24081-03Size:10 mg
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Description
3344 is an inhibitor of KRAS-effector interactions, with an affnity of 126nm.
CAS Number
2368246-78-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
390.47
Molecular Formula
C24H26N2O3
Notes
Research use only, not for human use.
Receptor
KRAS

Chemical Information

4-(2,3-Dihydrobenzo[b][1,4]dioxin-5-yl)-N-(3-((dimethylamino)methyl)phenyl)-2-methoxyaniline
CAS Number2368246-78-8
PubChem CID134693857
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-[3-[(dimethylamino)methyl]phenyl]-2-methoxyaniline
Molecular FormulaC24H26N2O3
Molecular Weight390.5
XLogP4.6
Topological Polar Surface Area43
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity503
SMILES
CN(C)CC1=CC(=CC=C1)NC2=C(C=C(C=C2)C3=C4C(=CC=C3)OCCO4)OC
InChI
InChI=1S/C24H26N2O3/c1-26(2)16-17-6-4-7-19(14-17)25-21-11-10-18(15-23(21)27-3)20-8-5-9-22-24(20)29-13-12-28-22/h4-11,14-15,25H,12-13,16H2,1-3H3
InChIKey
LEFMIEUBWDMNAT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(2,3-Dihydrobenzo[b][1,4]dioxin-5-yl)-N-(3-((dimethylamino)methyl)phenyl)-2-methoxyaniline
CAS: 2368246-78-8
CID: 134693857
Formula: C24H26N2O3
MW: 390.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight390.5
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass390.19434270
Monoisotopic Mass390.19434270
Topological Polar Surface Area43 Ų
Heavy Atom Count29
Formal Charge0
Complexity503
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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Alternative Products

CatalogName
MBS3613725-01Compound 3344
BUP03093-01Compound 3344 hydrochloride
MBS3601091-01INCB-3344
FI104132-01INCB 3344
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TL312291FOXN2 Human shRNA Plasmid Kit (Locus ID 3344)
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