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OXA-06 Dihydrochloride

CAT: 0931-T24574-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T24574-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
944955-32-2
Target
ROCK, Others
Related Pathways
Others, Cytoskeletal Signaling, Cell Cycle/Checkpoint, Stem Cells
Bioactivity
OXA-06 Dihydrochloride is a PANC-1 cell migration and MYPT1 phosphorylation inhibitor.
Smiles
C(NCC1=C(F)C=CC=C1)C2=CC=C(C3=C4C(NC=C4)=NC=C3)C=C2
Molecular Formula
C21H18FN3
Molecular Weight
331.39
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(2-Fluoro-benzyl)-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-benzyl]-amine
CAS Number944955-32-2
PubChem CID24857242
IUPAC NameN-[(2-fluorophenyl)methyl]-1-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanamine
Molecular FormulaC21H18FN3
Molecular Weight331.4
XLogP3.9
Topological Polar Surface Area40.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity410
SMILES
C1=CC=C(C(=C1)CNCC2=CC=C(C=C2)C3=C4C=CNC4=NC=C3)F
InChI
InChI=1S/C21H18FN3/c22-20-4-2-1-3-17(20)14-23-13-15-5-7-16(8-6-15)18-9-11-24-21-19(18)10-12-25-21/h1-12,23H,13-14H2,(H,24,25)
InChIKey
XUIUXXQVHPEQNM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (2-Fluoro-benzyl)-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-benzyl]-amine
CAS: 944955-32-2
CID: 24857242
Formula: C21H18FN3
MW: 331.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight331.4
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass331.14847575
Monoisotopic Mass331.14847575
Topological Polar Surface Area40.7 Ų
Heavy Atom Count25
Formal Charge0
Complexity410
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
5182/10OXA 06 dihydrochloride
MBS5774326OXA-06 Dihydrochloride
OR1035573-012-Oxa-5,8-diazaspiro[3.5]nonane dihydrochloride
OR304428-014-Oxa-1,9-diazaspiro[5.5]undecane dihydrochloride
OR1057253-014-Benzyl-1-oxa-4,9-diazaspiro[5.5]undecane dihydrochloride
LUD64454-015-Oxa-2,8-diazaspiro[3.5]nonan-7-one dihydrochloride
EPD30855-017-Methyl-3-oxa-7,10-diazaspiro[5.6]dodecane dihydrochloride
RPD14000-0110-Methyl-3-oxa-7,10-diazaspiro[5.6]dodecane dihydrochloride
ZLD00769-01N, N-Dimethyl-8-oxa-2-azaspiro[4.5]decan-4-amine dihydrochloride
AVD27476-01{2-Benzyl-8-oxa-2-azaspiro[4.5]decan-4-yl}methanamine dihydrochloride

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