Y206-1291 Screening compound: 2-{5-[(2-chloro-6-fluorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}pyridine

Y206-1291 Screening compound: 2-{5-[(2-chloro-6-fluorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}pyridine
Y206-1291 Screening compound: 2-{5-[(2-chloro-6-fluorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y206-1291
2-{5-[(2-chloro-6-fluorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}pyridine

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

Y206-1291

Molecular Formula

C16H14ClFN4S (C16 H14 ClFN4 S)

Compound Name

2-{5-[(2-chloro-6-fluorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}pyridine

IUPAC name

2-(5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-ethyl-4H-124-triazol-3-yl)pyridine

SMILES

CCn1c(SCc(c(F)ccc2)c2Cl)nnc1-c1ncccc1

InChI

InChI=1S/C16H14ClFN4S/c1-2-22-15(14-8-3-4-9-19-14)20-21-16(22)23-10-11-12(17)6-5-7-13(11)18/h3-9H,2,10H2,1H3

InChI Key

CIOMFRFRNUBKIG-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.83

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.936

Distribution Coefficient, logD

3.936

Water Solubility, LogSw

-4.18

Polar Surface Area

33.013

Acid Dissociation Constant (pKa)

19.95

Base Dissociation Constant (pKb)

3.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.75

Y206-1291 in Drug Discovery

Included in Screening Libraries

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

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y206-1291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y206-1291?
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What is the minimum amount of Y206-1291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y206-1291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y206-1291
  • 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 Y206-1291 available by request