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EMD638683

CAT: 0607-A3389-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-A3389-50Size:50 mg
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Description
SGK1 inhibitor
CAS Number
1181770-72-8
Product Name Alternative
N'-[2-(3,5-difluorophenyl)-2-hydroxyacetyl]-2-ethyl-4-hydroxy-3-methylbenzohydrazide
Sequence
EMD 638683;EMD-638683
Field of Research
Others SGK
Purity
0.9846
Form
A solid
Solubility
insoluble in H2O; ≥18.2 mg/mL in DMSO; ≥45.8 mg/mL in EtOH with gentle warming
Smiles
CCC1=C(C=CC(=C1C)O)C(=O)NNC(=O)C(C2=CC(=CC(=C2)F)F)O
Molecular Formula
C18H18F2N2O4
Molecular Weight
364.34
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Emd638683

inhibits serum- and glucocorticoid-inducible kinase 1 (SGK1); structure in first source

CAS Number1181770-72-8
PubChem CID44182398
IUPAC NameN'-[2-(3,5-difluorophenyl)-2-hydroxyacetyl]-2-ethyl-4-hydroxy-3-methylbenzohydrazide
Molecular FormulaC18H18F2N2O4
Molecular Weight364.3
XLogP2.8
Topological Polar Surface Area98.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity498
SMILES
CCC1=C(C=CC(=C1C)O)C(=O)NNC(=O)C(C2=CC(=CC(=C2)F)F)O
InChI
InChI=1S/C18H18F2N2O4/c1-3-13-9(2)15(23)5-4-14(13)17(25)21-22-18(26)16(24)10-6-11(19)8-12(20)7-10/h4-8,16,23-24H,3H2,1-2H3,(H,21,25)(H,22,26)
InChIKey
SSNAPUUWBPZGOY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Emd638683
CAS: 1181770-72-8
CID: 44182398
Formula: C18H18F2N2O4
MW: 364.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight364.3
XLogP32.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass364.12346338
Monoisotopic Mass364.12346338
Topological Polar Surface Area98.7 Ų
Heavy Atom Count26
Formal Charge0
Complexity498
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BUP02999-01EMD638683
A15079-100EMD638683 100mg
A15079-25EMD638683 25mg
HY-15193R-01EMD638683 (Standard)
A15079-10EMD638683 10mg
A15079-1EMD638683 1mg
A15079-50EMD638683 50mg
A15079-5EMD638683 5mg
MBS386751-01EMD638683 S-Form
T11181-01EMD638683 R-Form

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