8016-1842 Screening compound: 1-(4-fluorophenyl)-2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one

8016-1842 Screening compound: 1-(4-fluorophenyl)-2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
8016-1842 Screening compound: 1-(4-fluorophenyl)-2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-1842
1-(4-fluorophenyl)-2-{[4-methyl-5-(pyridin-4-yl)-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

8016-1842

Molecular Formula

C16H13FN4OS (C16 H13 FN4 OS)

Compound Name

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

IUPAC name

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

SMILES

Cn1c(SCC(c(cc2)ccc2F)=O)nnc1-c1ccncc1

InChI

InChI=1S/C16H13FN4OS/c1-21-15(12-6-8-18-9-7-12)19-20-16(21)23-10-14(22)11-2-4-13(17)5-3-11/h2-9H,10H2,1H3

InChI Key

VOUSQJGEZBVQAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03482412

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.122

Distribution Coefficient, logD

2.121

Water Solubility, LogSw

-2.31

Polar Surface Area

47.726

Acid Dissociation Constant (pKa)

16.90

Base Dissociation Constant (pKb)

4.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8016-1842 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8016-1842 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-1842?
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What is the minimum amount of 8016-1842 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-1842
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-1842
  • 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 8016-1842 available by request