8015-6349 Screening compound: 2-{[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(4-fluorophenyl)piperazin-1-yl]ethan-1-one

8015-6349 Screening compound: 2-{[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(4-fluorophenyl)piperazin-1-yl]ethan-1-one
8015-6349 Screening compound: 2-{[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(4-fluorophenyl)piperazin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-6349
2-{[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(4-fluorophenyl)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

8015-6349

Molecular Formula

C21H23FN6OS (C21 H23 FN6 OS)

Compound Name

2-{[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(4-fluorophenyl)piperazin-1-yl]ethan-1-one

IUPAC name

2-{[4-ethyl-5-(pyridin-4-yl)-4H-124-triazol-3-yl]sulfanyl}-1-[4-(4-fluorophenyl)piperazin-1-yl]ethan-1-one

SMILES

CCn1c(SCC(N(CC2)CCN2c(cc2)ccc2F)=O)nnc1-c1ccncc1

InChI

InChI=1S/C21H23FN6OS/c1-2-28-20(16-7-9-23-10-8-16)24-25-21(28)30-15-19(29)27-13-11-26(12-14-27)18-5-3-17(22)4-6-18/h3-10H,2,11-15H2,1H3

InChI Key

JZQMVTHPOQUPLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03778859

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.629

Distribution Coefficient, logD

2.628

Water Solubility, LogSw

-2.54

Polar Surface Area

53.047

Acid Dissociation Constant (pKa)

19.12

Base Dissociation Constant (pKb)

4.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

8015-6349 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8015-6349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-6349?
Check Price and Availability of 8015-6349, 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 8015-6349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-6349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-6349
  • 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 8015-6349 available by request