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SecinH3

CAT: 0013-GTR19160220-07Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19160220-07Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SecinH3 is a cytohesin antagonist.
CAS Number
853625-60-2
Product Name Alternative
SecinH3 | Secin-H3 | Secin H3
Purity
>98% (HPLC)
Solubility
DMSO : 100 mg/mL. 217.15 mM
Smiles
O=C (CSc1ccccc1) Nc1ccc (cc1) n1nc (OC) nc1c1ccc2OCOc2c1
Molecular Formula
C24H20N4O4S
Molecular Weight
460.5
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
N-[4-[5- (1,3-Benzodioxol-5-yl) -3-methoxy-1H-1,2,4-triazol-1-yl]phenyl]-2- (phenylthio) acetamide

Chemical Information

SecinH3

N-[4-[5-(1,3-benzodioxol-5-yl)-3-methoxy-1,2,4-triazol-1-yl]phenyl]-2-(phenylthio)acetamide is a member of triazoles.

CAS Number853625-60-2
PubChem CID1029232
IUPAC NameN-[4-[5-(1,3-benzodioxol-5-yl)-3-methoxy-1,2,4-triazol-1-yl]phenyl]-2-phenylsulfanylacetamide
Molecular FormulaC24H20N4O4S
Molecular Weight460.5
XLogP4.9
Topological Polar Surface Area113
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity644
SMILES
COC1=NN(C(=N1)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)NC(=O)CSC5=CC=CC=C5
InChI
InChI=1S/C24H20N4O4S/c1-30-24-26-23(16-7-12-20-21(13-16)32-15-31-20)28(27-24)18-10-8-17(9-11-18)25-22(29)14-33-19-5-3-2-4-6-19/h2-13H,14-15H2,1H3,(H,25,29)
InChIKey
QPGYAMIHXLCFTJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SecinH3
CAS: 853625-60-2
CID: 1029232
Formula: C24H20N4O4S
MW: 460.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight460.5
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass460.12052631
Monoisotopic Mass460.12052631
Topological Polar Surface Area113 Ų
Heavy Atom Count33
Formal Charge0
Complexity644
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

Alternative Products

CatalogName
B7207-25SecinH3
A16319-5SecinH3 5mg
A16319-100SecinH3 100mg
A16319-1SecinH3 1mg

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