Y205-5260 Screening compound: 3-[1-(4-chloro-2-methylphenoxy)ethyl]-4-methyl-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole

Y205-5260 Screening compound: 3-[1-(4-chloro-2-methylphenoxy)ethyl]-4-methyl-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole
Y205-5260 Screening compound: 3-[1-(4-chloro-2-methylphenoxy)ethyl]-4-methyl-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound Y205-5260
3-[1-(4-chloro-2-methylphenoxy)ethyl]-4-methyl-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole

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

Y205-5260

Molecular Formula

C20H19ClF3N3OS (C20 H19 ClF3 N3 OS)

Compound Name

3-[1-(4-chloro-2-methylphenoxy)ethyl]-4-methyl-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole

IUPAC name

3-[1-(4-chloro-2-methylphenoxy)ethyl]-4-methyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-124-triazole

SMILES

CC(c(n1C)nnc1SCc1cc(C(F)(F)F)ccc1)Oc(cc1)c(C)cc1Cl

InChI

InChI=1S/C20H19ClF3N3OS/c1-12-9-16(21)7-8-17(12)28-13(2)18-25-26-19(27(18)3)29-11-14-5-4-6-15(10-14)20(22,23)24/h4-10,13H,11H2,1-3H3/t13-/m0/s1

InChI Key

LOUUSQYLLJPAJH-ZDUSSCGKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.9

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.226

Distribution Coefficient, logD

6.226

Water Solubility, LogSw

-6.45

Polar Surface Area

31.926

Acid Dissociation Constant (pKa)

23.48

Base Dissociation Constant (pKb)

1.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with Y205-5260 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y205-5260?
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What is the minimum amount of Y205-5260 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y205-5260
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y205-5260
  • 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 Y205-5260 available by request