Y205-6145 Screening compound: N-(3-{5-[(3-fluorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)-N,N-dimethylamine

Y205-6145 Screening compound: N-(3-{5-[(3-fluorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)-N,N-dimethylamine
Y205-6145 Screening compound: N-(3-{5-[(3-fluorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)-N,N-dimethylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y205-6145
N-(3-{5-[(3-fluorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)-N,N-dimethylamine

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

Y205-6145

Molecular Formula

C18H19FN4S (C18 H19 FN4 S)

Compound Name

N-(3-{5-[(3-fluorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)-N,N-dimethylamine

IUPAC name

3-(5-{[(3-fluorophenyl)methyl]sulfanyl}-4-methyl-4H-124-triazol-3-yl)-NN-dimethylaniline

SMILES

CN(C)c1cccc(-c(n2C)nnc2SCc2cc(F)ccc2)c1

InChI

InChI=1S/C18H19FN4S/c1-22(2)16-9-5-7-14(11-16)17-20-21-18(23(17)3)24-12-13-6-4-8-15(19)10-13/h4-11H,12H2,1-3H3

InChI Key

UADSWUPZIAPRBB-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.255

Distribution Coefficient, logD

4.255

Water Solubility, LogSw

-4.36

Polar Surface Area

27.856

Acid Dissociation Constant (pKa)

21.90

Base Dissociation Constant (pKb)

3.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

Y205-6145 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 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 Y205-6145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y205-6145?
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What is the minimum amount of Y205-6145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y205-6145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y205-6145
  • 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 Y205-6145 available by request