D419-0021 Screening compound: 2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethan-1-one

D419-0021 Screening compound: 2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethan-1-one
D419-0021 Screening compound: 2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D419-0021
2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]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

D419-0021

Molecular Formula

C27H27N5O2S (C27 H27 N5 O2 S)

Compound Name

2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethan-1-one

IUPAC name

2-[(45-diphenyl-4H-124-triazol-3-yl)sulfanyl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethan-1-one

SMILES

COc(cccc1)c1N(CC1)CCN1C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)=O

InChI

InChI=1S/C27H27N5O2S/c1-34-24-15-9-8-14-23(24)30-16-18-31(19-17-30)25(33)20-35-27-29-28-26(21-10-4-2-5-11-21)32(27)22-12-6-3-7-13-22/h2-15H,16-20H2,1H3

InChI Key

ZQWZTVYNZLRJAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12308678

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.460

Distribution Coefficient, logD

4.460

Water Solubility, LogSw

-4.27

Polar Surface Area

51.695

Acid Dissociation Constant (pKa)

20.35

Base Dissociation Constant (pKb)

3.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

D419-0021 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D419-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D419-0021?
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What is the minimum amount of D419-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D419-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D419-0021
  • 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 D419-0021 available by request