E016-0302 Screening compound: 5-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2-(thiophen-2-yl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-4-one

E016-0302 Screening compound: 5-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2-(thiophen-2-yl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
E016-0302 Screening compound: 5-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2-(thiophen-2-yl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E016-0302
5-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2-(thiophen-2-yl)-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

E016-0302

Molecular Formula

C22H21ClN6O2S (C22 H21 ClN6 O2 S)

Compound Name

5-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2-(thiophen-2-yl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-4-one

IUPAC name

5-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2-(thiophen-2-yl)-4H5H-pyrazolo[15-d][124]triazin-4-one

SMILES

Cc(ccc(Cl)c1)c1N(CC1)CCN1C(CN(C(c1c2)=O)N=Cn1nc2-c1cccs1)=O

InChI

InChI=1S/C22H21ClN6O2S/c1-15-4-5-16(23)11-18(15)26-6-8-27(9-7-26)21(30)13-28-22(31)19-12-17(20-3-2-10-32-20)25-29(19)14-24-28/h2-5,10-12,14H,6-9,13H2,1H3

InChI Key

FQNMEVUJIGNSAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14838601

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.97

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.043

Distribution Coefficient, logD

3.043

Water Solubility, LogSw

-3.29

Polar Surface Area

62.515

Acid Dissociation Constant (pKa)

17.24

Base Dissociation Constant (pKb)

3.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

E016-0302 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with E016-0302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E016-0302?
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What is the minimum amount of E016-0302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E016-0302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E016-0302
  • 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 E016-0302 available by request