Y500-7815 Screening compound: 2-({4-allyl-5-[(4-chlorophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-{[2-(benzyloxy)phenyl]methylene}acetohydrazide

Y500-7815 Screening compound: 2-({4-allyl-5-[(4-chlorophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-{[2-(benzyloxy)phenyl]methylene}acetohydrazide
Y500-7815 Screening compound: 2-({4-allyl-5-[(4-chlorophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-{[2-(benzyloxy)phenyl]methylene}acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y500-7815
2-({4-allyl-5-[(4-chlorophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-{[2-(benzyloxy)phenyl]methylene}acetohydrazide

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

Y500-7815

Molecular Formula

C28H26ClN5O3S (C28 H26 ClN5 O3 S)

Compound Name

2-({4-allyl-5-[(4-chlorophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-{[2-(benzyloxy)phenyl]methylene}acetohydrazide

IUPAC name

N'-{[2-(benzyloxy)phenyl]methylidene}-2-({5-[(4-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-124-triazol-3-yl}sulfanyl)acetohydrazide

SMILES

C=CCn1c(SCC(NN=Cc(cccc2)c2OCc2ccccc2)=O)nnc1COc(cc1)ccc1Cl

InChI

InChI=1S/C28H26ClN5O3S/c1-2-16-34-26(19-36-24-14-12-23(29)13-15-24)31-33-28(34)38-20-27(35)32-30-17-22-10-6-7-11-25(22)37-18-21-8-4-3-5-9-21/h2-15,17H,1,16,18-20H2,(H,32,35)

InChI Key

PXCQPKJUUISSJI-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

548.07

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.891

Distribution Coefficient, logD

5.891

Water Solubility, LogSw

-6.10

Polar Surface Area

75.383

Acid Dissociation Constant (pKa)

11.30

Base Dissociation Constant (pKb)

0.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.29

References: we are preparing a list of scientific research reports with Y500-7815 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y500-7815?
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What is the minimum amount of Y500-7815 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y500-7815
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y500-7815
  • 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 Y500-7815 available by request