E016-0027 Screening compound: 2-(4-methoxyphenyl)-5-[2-(4-methylpiperazino)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one

E016-0027 Screening compound: 2-(4-methoxyphenyl)-5-[2-(4-methylpiperazino)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
E016-0027 Screening compound: 2-(4-methoxyphenyl)-5-[2-(4-methylpiperazino)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E016-0027
2-(4-methoxyphenyl)-5-[2-(4-methylpiperazino)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one

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

E016-0027

Molecular Formula

C19H22N6O3 (C19 H22 N6 O3)

Compound Name

2-(4-methoxyphenyl)-5-[2-(4-methylpiperazino)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one

IUPAC name

2-(4-methoxyphenyl)-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4H5H-pyrazolo[15-d][124]triazin-4-one

SMILES

CN(CC1)CCN1C(CN(C(c1c2)=O)N=Cn1nc2-c(cc1)ccc1OC)=O

InChI

InChI=1S/C19H22N6O3/c1-22-7-9-23(10-8-22)18(26)12-24-19(27)17-11-16(21-25(17)13-20-24)14-3-5-15(28-2)6-4-14/h3-6,11,13H,7-10,12H2,1-2H3

InChI Key

RGUXNSLJNOYRPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14838510

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.262

Distribution Coefficient, logD

0.131

Water Solubility, LogSw

-1.66

Polar Surface Area

69.558

Acid Dissociation Constant (pKa)

17.24

Base Dissociation Constant (pKb)

6.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.84

E016-0027 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with E016-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E016-0027?
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What is the minimum amount of E016-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E016-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E016-0027
  • 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 E016-0027 available by request