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NT157

CAT: 0607-B7808-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-B7808-25Size:25 mg
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Description
IRS-1/2 inhibitor, inhibits IGF-1R and STAT3 signaling pathway
CAS Number
1384426-12-3
Product Name Alternative
(E)-3-(3-bromo-4,5-dihydroxyphenyl)-N-(3,4,5-trihydroxybenzyl)prop-2-enethioamide
Field of Research
Tyrosine Kinase IGF1R
Purity
0.986
Form
A solid
Solubility
insoluble in H2O; ≥21.5 mg/mL in EtOH; ≥50 mg/mL in DMSO
Smiles
OC1=C(O)C=C(/C=C/C(NCC2=CC(O)=C(O)C(O)=C2)=S)C=C1Br
Molecular Formula
C16H14BrNO5S
Molecular Weight
412.26
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

(E)-3-(3-Bromo-4,5-dihydroxyphenyl)-N-(3,4,5-trihydroxybenzyl)prop-2-enethioamide

(E)-3-(3-Bromo-4,5-dihydroxyphenyl)-N-(3,4,5-trihydroxybenzyl)prop-2-enethioamide is an organic molecular entity.

CAS Number1384426-12-3
PubChem CID135398520
IUPAC Name(E)-3-(3-bromo-4,5-dihydroxyphenyl)-N-[(3,4,5-trihydroxyphenyl)methyl]prop-2-enethioamide
Molecular FormulaC16H14BrNO5S
Molecular Weight412.3
XLogP2.6
Topological Polar Surface Area145
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity454
SMILES
C1=C(C=C(C(=C1O)O)O)CNC(=S)/C=C/C2=CC(=C(C(=C2)Br)O)O
InChI
InChI=1S/C16H14BrNO5S/c17-10-3-8(4-11(19)15(10)22)1-2-14(24)18-7-9-5-12(20)16(23)13(21)6-9/h1-6,19-23H,7H2,(H,18,24)/b2-1+
InChIKey
NIPUPOUEGOSAAO-OWOJBTEDSA-N
Chemical Structure
2D Structure
2D structure of (E)-3-(3-Bromo-4,5-dihydroxyphenyl)-N-(3,4,5-trihydroxybenzyl)prop-2-enethioamide
CAS: 1384426-12-3
CID: 135398520
Formula: C16H14BrNO5S
MW: 412.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight412.3
XLogP32.6
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass410.97761
Monoisotopic Mass410.97761
Topological Polar Surface Area145 Ų
Heavy Atom Count24
Formal Charge0
Complexity454
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
C13278-1gNT157
A16247-50NT157 50mg
A16247-1NT157 1mg
HY-100037RNT157 (Standard)
A16247-100NT157 100mg
A16247-25NT157 25mg
A16247-10NT157 10mg
A16247-5NT157 5mg
A16247-2NT157 2mg

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