Y206-7461 Screening compound: 3-{4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}phenyl methyl ether

Y206-7461 Screening compound: 3-{4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}phenyl methyl ether
Y206-7461 Screening compound: 3-{4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}phenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound Y206-7461
3-{4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}phenyl methyl ether

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

Y206-7461

Molecular Formula

C18H18FN3OS (C18 H18 FN3 OS)

Compound Name

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

IUPAC name

4-ethyl-3-{[(4-fluorophenyl)methyl]sulfanyl}-5-(3-methoxyphenyl)-4H-124-triazole

SMILES

CCn1c(SCc(cc2)ccc2F)nnc1-c1cc(OC)ccc1

InChI

InChI=1S/C18H18FN3OS/c1-3-22-17(14-5-4-6-16(11-14)23-2)20-21-18(22)24-12-13-7-9-15(19)10-8-13/h4-11H,3,12H2,1-2H3

InChI Key

HWJGEMFILBFPDB-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.243

Distribution Coefficient, logD

4.243

Water Solubility, LogSw

-4.37

Polar Surface Area

31.509

Acid Dissociation Constant (pKa)

19.54

Base Dissociation Constant (pKb)

5.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

References: we are preparing a list of scientific research reports with Y206-7461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y206-7461?
Check Price and Availability of Y206-7461, 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 Y206-7461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y206-7461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y206-7461
  • 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 Y206-7461 available by request