Y205-8557 Screening compound: {4-allyl-5-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl phenyl ether

Y205-8557 Screening compound: {4-allyl-5-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl phenyl ether
Y205-8557 Screening compound: {4-allyl-5-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl phenyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound Y205-8557
{4-allyl-5-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl phenyl 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

Y205-8557

Molecular Formula

C20H21N3OS (C20 H21 N3 OS)

Compound Name

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

IUPAC name

3-{[(2-methylphenyl)methyl]sulfanyl}-5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-124-triazole

SMILES

Cc1c(CSc2nnc(COc3ccccc3)n2CC=C)cccc1

InChI

InChI=1S/C20H21N3OS/c1-3-13-23-19(14-24-18-11-5-4-6-12-18)21-22-20(23)25-15-17-10-8-7-9-16(17)2/h3-12H,1,13-15H2,2H3

InChI Key

KORQBRLDSKYXSJ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.47

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

4.833

Distribution Coefficient, logD

4.833

Water Solubility, LogSw

-4.63

Polar Surface Area

32.694

Acid Dissociation Constant (pKa)

22.83

Base Dissociation Constant (pKb)

2.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with Y205-8557 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y205-8557?
Check Price and Availability of Y205-8557, 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 Y205-8557 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y205-8557
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y205-8557
  • 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 Y205-8557 available by request