E016-2661 Screening compound: N-(4-chlorophenyl)-2-[2-(4-ethylphenyl)-7-methyl-4-oxo-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide

E016-2661 Screening compound: N-(4-chlorophenyl)-2-[2-(4-ethylphenyl)-7-methyl-4-oxo-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
E016-2661 Screening compound: N-(4-chlorophenyl)-2-[2-(4-ethylphenyl)-7-methyl-4-oxo-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E016-2661
N-(4-chlorophenyl)-2-[2-(4-ethylphenyl)-7-methyl-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

E016-2661

Molecular Formula

C22H20ClN5O2 (C22 H20 ClN5 O2)

Compound Name

N-(4-chlorophenyl)-2-[2-(4-ethylphenyl)-7-methyl-4-oxo-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide

IUPAC name

N-(4-chlorophenyl)-2-[2-(4-ethylphenyl)-7-methyl-4-oxo-4H5H-pyrazolo[15-d][124]triazin-5-yl]acetamide

SMILES

CCc(cc1)ccc1-c(cc12)nn1C(C)=NN(CC(Nc(cc1)ccc1Cl)=O)C2=O

InChI

InChI=1S/C22H20ClN5O2/c1-3-15-4-6-16(7-5-15)19-12-20-22(30)27(25-14(2)28(20)26-19)13-21(29)24-18-10-8-17(23)9-11-18/h4-12H,3,13H2,1-2H3,(H,24,29)

InChI Key

WJAKDWYQYGQKPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14838789

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.797

Distribution Coefficient, logD

4.797

Water Solubility, LogSw

-4.82

Polar Surface Area

63.915

Acid Dissociation Constant (pKa)

11.22

Base Dissociation Constant (pKb)

0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

E016-2661 in Drug Discovery

Included in Screening Libraries

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E016-2661 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E016-2661?
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What is the minimum amount of E016-2661 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E016-2661
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E016-2661
  • 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 E016-2661 available by request