Catalog No.:AA00GWS7

89848-41-9 | 3H-1,2,4-Triazol-3-one,4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]-2,4-dihydro-, cis-

Name: Name:3H-1,2,4-Triazol-3-one,4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]-2,4-dihydro-, cis-
Brand: AABLOCKS
SKU: AA00GWS7
Rating: 90 (10 reviews)

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Technical Information
Properties
Literature
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Technical Information

Catalog Number:

AA00GWS7

Chemical Name:

3H-1,2,4-Triazol-3-one,4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]-2,4-dihydro-, cis-

CAS Number:

89848-41-9

Molecular Formula:

C31H30Cl2N8O4

Molecular Weight:

649.5271

SMILES:

Clc1ccc(c(c1)Cl)[C@@]1(OC[C@H](O1)COc1ccc(cc1)N1CCN(CC1)c1ccc(cc1)n1cn[nH]c1=O)Cn1cncn1

Properties

Computed Properties

Complexity:

1020

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Rotatable Bond Count:

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.2

Literature

Title: Itraconazole side chain analogues: structure-activity relationship studies for inhibition of endothelial cell proliferation, vascular endothelial growth factor receptor 2 (VEGFR2) glycosylation, and hedgehog signaling.

Journal: Journal of medicinal chemistry 20111027

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Tags:89848-41-9 Molecular Formula|89848-41-9 MDL|89848-41-9 SMILES|89848-41-9 3H-1,2,4-Triazol-3-one,4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]-2,4-dihydro-, cis-

Catalog No.: AA00GWS7

89848-41-9 | 3H-1,2,4-Triazol-3-one,4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]-2,4-dihydro-, cis-

This product is typically in stock,please click "Inquire" below or contact us at [email protected]for pricing and availability information.

Inquire

Technical Information

Catalog Number: AA00GWS7

Chemical Name: 3H-1,2,4-Triazol-3-one,4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]-2,4-dihydro-, cis-

CAS Number: 89848-41-9

Molecular Formula: C31H30Cl2N8O4

Molecular Weight: 649.5271

SMILES: Clc1ccc(c(c1)Cl)[C@@]1(OC[C@H](O1)COc1ccc(cc1)N1CCN(CC1)c1ccc(cc1)n1cn[nH]c1=O)Cn1cncn1

Properties

Complexity: 1020

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 2

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 45

Hydrogen Bond Acceptor Count: 9