Y206-7458 Screening compound: N-(4-{4-allyl-5-[(2-chlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}phenyl)-N,N-diethylamine

Y206-7458 Screening compound: N-(4-{4-allyl-5-[(2-chlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}phenyl)-N,N-diethylamine
Y206-7458 Screening compound: N-(4-{4-allyl-5-[(2-chlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}phenyl)-N,N-diethylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y206-7458
N-(4-{4-allyl-5-[(2-chlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}phenyl)-N,N-diethylamine

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

Y206-7458

Molecular Formula

C22H25ClN4S (C22 H25 ClN4 S)

Compound Name

N-(4-{4-allyl-5-[(2-chlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}phenyl)-N,N-diethylamine

IUPAC name

4-(5-{[(2-chlorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-124-triazol-3-yl)-NN-diethylaniline

SMILES

CCN(CC)c(cc1)ccc1-c(n1CC=C)nnc1SCc(cccc1)c1Cl

InChI

InChI=1S/C22H25ClN4S/c1-4-15-27-21(17-11-13-19(14-12-17)26(5-2)6-3)24-25-22(27)28-16-18-9-7-8-10-20(18)23/h4,7-14H,1,5-6,15-16H2,2-3H3

InChI Key

HPYCUPNHZSGECV-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.99

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.113

Distribution Coefficient, logD

6.110

Water Solubility, LogSw

-6.30

Polar Surface Area

26.955

Acid Dissociation Constant (pKa)

21.83

Base Dissociation Constant (pKb)

7.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.27

References: we are preparing a list of scientific research reports with Y206-7458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y206-7458?
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What is the minimum amount of Y206-7458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y206-7458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y206-7458
  • 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 Y206-7458 available by request