Name: Name:N-[4-[5-(1,3-Benzodioxol-5-yl)-3-methoxy-1H-1,2,4-triazol-1-yl]phenyl]-2-(phenylthio)acetamide
Brand: Angene
SKU: AG0036C7
Rating: 90 (10 reviews)

N-[4-[5-(1,3-Benzodioxol-5-yl)-3-methoxy-1H-1,2,4-triazol-1-yl]phenyl]-2-(phenylthio)acetamide

CAS No.:

853625-60-2

Catalog Number:

AG0036C7

Molecular Formula:

C24H20N4O4S

Molecular Weight:

460.5050

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

5mg

99%

1 week

United States

$175

- +

10mg

99%

1 week

United States

$265

- +

50mg

99%

1 week

United States

$779

- +

Product Description

Catalog Number:

AG0036C7

Chemical Name:

N-[4-[5-(1,3-Benzodioxol-5-yl)-3-methoxy-1H-1,2,4-triazol-1-yl]phenyl]-2-(phenylthio)acetamide

CAS Number:

853625-60-2

Molecular Formula:

C24H20N4O4S

Molecular Weight:

460.5050

MDL Number:

MFCD10687099

IUPAC Name:

N-[4-[5-(1,3-benzodioxol-5-yl)-3-methoxy-1,2,4-triazol-1-yl]phenyl]-2-phenylsulfanylacetamide

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)

InChI Key:

QPGYAMIHXLCFTJ-UHFFFAOYSA-N

SMILES:

COc1nn(c(n1)c1ccc2c(c1)OCO2)c1ccc(cc1)NC(=O)CSc1ccccc1

EC Number:

418-180-8

Properties

Complexity:

644

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

460.121g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

460.508g/mol

Monoisotopic Mass:

460.121g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

113A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.9

Literature

Title	Journal
Identification of potent Yes1 kinase inhibitors using a library screening approach.	Bioorganic & medicinal chemistry letters 20130801
A trifluoromethylphenyl diazirine-based SecinH3 photoaffinity probe.	Chemical communications (Cambridge, England) 20120130
Anti-proliferative effect of cytohesin inhibition in gefitinib-resistant lung cancer cells.	PloS one 20120101
Cytohesin-1 regulates the Arf6-phospholipase D signaling axis in human neutrophils: impact on superoxide anion production and secretion.	Journal of immunology (Baltimore, Md. : 1950) 20100115
Valproic acid-inducible Arl4D and cytohesin-2/ARNO, acting through the downstream Arf6, regulate neurite outgrowth in N1E-115 cells.	Experimental cell research 20090715
Inhibition of cytohesins by SecinH3 leads to hepatic insulin resistance.	Nature 20061214
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Properties