Y205-8683 Screening compound: 2-chlorophenyl [(4-ethyl-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl] ether

Y205-8683 Screening compound: 2-chlorophenyl [(4-ethyl-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl] ether
Y205-8683 Screening compound: 2-chlorophenyl [(4-ethyl-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl] ether alternative view

Chemical Structure Depiction of ChemDiv screening compound Y205-8683
2-chlorophenyl [(4-ethyl-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-3-yl)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

Y205-8683

Molecular Formula

C19H17ClF3N3OS (C19 H17 ClF3 N3 OS)

Compound Name

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

IUPAC name

3-[(2-chlorophenoxy)methyl]-4-ethyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-124-triazole

SMILES

CCn1c(SCc2cc(C(F)(F)F)ccc2)nnc1COc(cccc1)c1Cl

InChI

InChI=1S/C19H17ClF3N3OS/c1-2-26-17(11-27-16-9-4-3-8-15(16)20)24-25-18(26)28-12-13-6-5-7-14(10-13)19(21,22)23/h3-10H,2,11-12H2,1H3

InChI Key

MKCOZBSGOBHAQV-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.88

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.001

Distribution Coefficient, logD

5.001

Water Solubility, LogSw

-5.28

Polar Surface Area

32.527

Acid Dissociation Constant (pKa)

20.54

Base Dissociation Constant (pKb)

1.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.32

References: we are preparing a list of scientific research reports with Y205-8683 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y205-8683?
Check Price and Availability of Y205-8683, 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 Y205-8683 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y205-8683
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y205-8683
  • 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 Y205-8683 available by request