D419-0533 Screening compound: 2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-ethylpiperazin-1-yl)ethan-1-one

D419-0533 Screening compound: 2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-ethylpiperazin-1-yl)ethan-1-one
D419-0533 Screening compound: 2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-ethylpiperazin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D419-0533
2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-ethylpiperazin-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

D419-0533

Molecular Formula

C24H29N5O3S (C24 H29 N5 O3 S)

Compound Name

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

IUPAC name

2-{[5-(34-dimethoxyphenyl)-4-phenyl-4H-124-triazol-3-yl]sulfanyl}-1-(4-ethylpiperazin-1-yl)ethan-1-one

SMILES

CCN(CC1)CCN1C(CSc1nnc(-c(cc2)cc(OC)c2OC)n1-c1ccccc1)=O

InChI

InChI=1S/C24H29N5O3S/c1-4-27-12-14-28(15-13-27)22(30)17-33-24-26-25-23(29(24)19-8-6-5-7-9-19)18-10-11-20(31-2)21(16-18)32-3/h5-11,16H,4,12-15,17H2,1-3H3

InChI Key

YBIMUJAPABFZDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14827830

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.714

Distribution Coefficient, logD

2.595

Water Solubility, LogSw

-3.03

Polar Surface Area

59.903

Acid Dissociation Constant (pKa)

20.35

Base Dissociation Constant (pKb)

6.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

D419-0533 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D419-0533 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D419-0533?
Check Price and Availability of D419-0533, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D419-0533 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D419-0533
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D419-0533
  • 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 D419-0533 available by request