Y500-7807 Screening compound: 2-{[4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-1-(5-chloro-2-hydroxyphenyl)methylidene]acetohydrazide

Y500-7807 Screening compound: 2-{[4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-1-(5-chloro-2-hydroxyphenyl)methylidene]acetohydrazide
Y500-7807 Screening compound: 2-{[4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-1-(5-chloro-2-hydroxyphenyl)methylidene]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y500-7807
2-{[4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-1-(5-chloro-2-hydroxyphenyl)methylidene]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

Y500-7807

Molecular Formula

C21H20ClN5O3S (C21 H20 ClN5 O3 S)

Compound Name

2-{[4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-1-(5-chloro-2-hydroxyphenyl)methylidene]acetohydrazide

IUPAC name

N'-[(E)-(5-chloro-2-hydroxyphenyl)methylidene]-2-{[5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-124-triazol-3-yl]sulfanyl}acetohydrazide

SMILES

C=CCn1c(SCC(N/N=C/c(cc(cc2)Cl)c2O)=O)nnc1COc1ccccc1

InChI

InChI=1S/C21H20ClN5O3S/c1-2-10-27-19(13-30-17-6-4-3-5-7-17)24-26-21(27)31-14-20(29)25-23-12-15-11-16(22)8-9-18(15)28/h2-9,11-12,28H,1,10,13-14H2,(H,25,29)

InChI Key

KQDWQPDCUCOLPB-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.94

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.944

Distribution Coefficient, logD

3.941

Water Solubility, LogSw

-4.03

Polar Surface Area

84.617

Acid Dissociation Constant (pKa)

9.56

Base Dissociation Constant (pKb)

0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.29

References: we are preparing a list of scientific research reports with Y500-7807 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y500-7807?
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What is the minimum amount of Y500-7807 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y500-7807
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y500-7807
  • 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 Y500-7807 available by request