E016-0206 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-4-oxo-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide

E016-0206 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-4-oxo-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
E016-0206 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-4-oxo-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E016-0206
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-4-oxo-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

E016-0206

Molecular Formula

C26H29N5O5 (C26 H29 N5 O5)

Compound Name

N-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-4-oxo-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide

IUPAC name

N-[2-(34-diethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-4-oxo-4H5H-pyrazolo[15-d][124]triazin-5-yl]acetamide

SMILES

CCOc(ccc(CCNC(CN(C(c1c2)=O)N=Cn1nc2-c(cc1)ccc1OC)=O)c1)c1OCC

InChI

InChI=1S/C26H29N5O5/c1-4-35-23-11-6-18(14-24(23)36-5-2)12-13-27-25(32)16-30-26(33)22-15-21(29-31(22)17-28-30)19-7-9-20(34-3)10-8-19/h6-11,14-15,17H,4-5,12-13,16H2,1-3H3,(H,27,32)

InChI Key

VSECSKNUZHZBKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14838568

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.855

Distribution Coefficient, logD

1.855

Water Solubility, LogSw

-2.63

Polar Surface Area

88.423

Acid Dissociation Constant (pKa)

14.88

Base Dissociation Constant (pKb)

0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

E016-0206 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E016-0206 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E016-0206?
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What is the minimum amount of E016-0206 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E016-0206
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E016-0206
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of E016-0206 available by request