Y205-1076 Screening compound: 1-{5-[(2,6-dichlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}ethyl (3-methylphenyl) ether

Y205-1076 Screening compound: 1-{5-[(2,6-dichlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}ethyl (3-methylphenyl) ether
Y205-1076 Screening compound: 1-{5-[(2,6-dichlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}ethyl (3-methylphenyl) ether alternative view

Chemical Structure Depiction of ChemDiv screening compound Y205-1076
1-{5-[(2,6-dichlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}ethyl (3-methylphenyl) 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

Y205-1076

Molecular Formula

C19H19Cl2N3OS (C19 H19 Cl2 N3 OS)

Compound Name

1-{5-[(2,6-dichlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}ethyl (3-methylphenyl) ether

IUPAC name

3-{[(26-dichlorophenyl)methyl]sulfanyl}-4-methyl-5-[1-(3-methylphenoxy)ethyl]-4H-124-triazole

SMILES

CC(c(n1C)nnc1SCc(c(Cl)ccc1)c1Cl)Oc1cc(C)ccc1

InChI

InChI=1S/C19H19Cl2N3OS/c1-12-6-4-7-14(10-12)25-13(2)18-22-23-19(24(18)3)26-11-15-16(20)8-5-9-17(15)21/h4-10,13H,11H2,1-3H3/t13-/m0/s1

InChI Key

RENBJCRGALTCFN-ZDUSSCGKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.35

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

5.671

Distribution Coefficient, logD

5.671

Water Solubility, LogSw

-5.99

Polar Surface Area

31.840

Acid Dissociation Constant (pKa)

23.48

Base Dissociation Constant (pKb)

1.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.32

References: we are preparing a list of scientific research reports with Y205-1076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y205-1076?
Check Price and Availability of Y205-1076, 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 Y205-1076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y205-1076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y205-1076
  • 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 Y205-1076 available by request