Y206-3030 Screening compound: 1-{4-allyl-5-[(3-chlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl (2-chlorophenyl) ether

Y206-3030 Screening compound: 1-{4-allyl-5-[(3-chlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl (2-chlorophenyl) ether
Y206-3030 Screening compound: 1-{4-allyl-5-[(3-chlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl (2-chlorophenyl) ether alternative view

Chemical Structure Depiction of ChemDiv screening compound Y206-3030
1-{4-allyl-5-[(3-chlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl (2-chlorophenyl) 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

Y206-3030

Molecular Formula

C20H19Cl2N3OS (C20 H19 Cl2 N3 OS)

Compound Name

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

IUPAC name

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

SMILES

CC(c(n1CC=C)nnc1SCc1cc(Cl)ccc1)Oc(cccc1)c1Cl

InChI

InChI=1S/C20H19Cl2N3OS/c1-3-11-25-19(14(2)26-18-10-5-4-9-17(18)22)23-24-20(25)27-13-15-7-6-8-16(21)12-15/h3-10,12,14H,1,11,13H2,2H3/t14-/m0/s1

InChI Key

AWQKAWKOQFMIJT-AWEZNQCLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.36

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

6.168

Distribution Coefficient, logD

6.168

Water Solubility, LogSw

-6.21

Polar Surface Area

31.095

Acid Dissociation Constant (pKa)

23.41

Base Dissociation Constant (pKb)

0.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

Y206-3030 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y206-3030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y206-3030?
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What is the minimum amount of Y206-3030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y206-3030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y206-3030
  • 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 Y206-3030 available by request