D419-0086 Screening compound: 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one

D419-0086 Screening compound: 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
D419-0086 Screening compound: 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D419-0086
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-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

D419-0086

Molecular Formula

C23H27N5O3S (C23 H27 N5 O3 S)

Compound Name

1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one

IUPAC name

1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-124-triazol-3-yl]sulfanyl}ethan-1-one

SMILES

COc(cc1)ccc1-c(n1-c2ccccc2)nnc1SCC(N1CCN(CCO)CC1)=O

InChI

InChI=1S/C23H27N5O3S/c1-31-20-9-7-18(8-10-20)22-24-25-23(28(22)19-5-3-2-4-6-19)32-17-21(30)27-13-11-26(12-14-27)15-16-29/h2-10,29H,11-17H2,1H3

InChI Key

LIAUVTQBZCOCBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14827797

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.271

Distribution Coefficient, logD

2.255

Water Solubility, LogSw

-2.36

Polar Surface Area

69.095

Acid Dissociation Constant (pKa)

14.97

Base Dissociation Constant (pKb)

5.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

D419-0086 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
  • Ion Channels

References: we are preparing a list of scientific research reports with D419-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D419-0086?
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What is the minimum amount of D419-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D419-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D419-0086
  • 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 D419-0086 available by request