E016-0018 Screening compound: 5-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-2-(4-methoxyphenyl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-4-one

E016-0018 Screening compound: 5-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-2-(4-methoxyphenyl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
E016-0018 Screening compound: 5-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-2-(4-methoxyphenyl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E016-0018
5-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-2-(4-methoxyphenyl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-4-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

E016-0018

Molecular Formula

C24H30N6O3 (C24 H30 N6 O3)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-c1nn(C=NN(CC(N(CC2)CCN2C2CCCCC2)=O)C2=O)c2c1

InChI

InChI=1S/C24H30N6O3/c1-33-20-9-7-18(8-10-20)21-15-22-24(32)29(25-17-30(22)26-21)16-23(31)28-13-11-27(12-14-28)19-5-3-2-4-6-19/h7-10,15,17,19H,2-6,11-14,16H2,1H3

InChI Key

IAOXZPSNJHPQRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27597350

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.101

Distribution Coefficient, logD

1.939

Water Solubility, LogSw

-2.74

Polar Surface Area

69.175

Acid Dissociation Constant (pKa)

17.24

Base Dissociation Constant (pKb)

7.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

E016-0018 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E016-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of E016-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E016-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E016-0018
  • 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 E016-0018 available by request