Y508-8519 Screening compound: N'~1~-[(E)-1-(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-2-{[4-phenyl-5-(2-toluidinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide

Y508-8519 Screening compound: N'~1~-[(E)-1-(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-2-{[4-phenyl-5-(2-toluidinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Y508-8519 Screening compound: N'~1~-[(E)-1-(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-2-{[4-phenyl-5-(2-toluidinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y508-8519
N'~1~-[(E)-1-(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-2-{[4-phenyl-5-(2-toluidinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}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

Y508-8519

Molecular Formula

C25H22BrN7O4S (C25 H22 BrN7 O4 S)

Compound Name

N'~1~-[(E)-1-(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-2-{[4-phenyl-5-(2-toluidinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide

IUPAC name

n/a

SMILES

Cc(cccc1)c1NCc(n1-c2ccccc2)nnc1SCC(N/N=C/c1cc(Br)cc([N+]([O-])=O)c1O)=O

InChI

InChI=1S/C25H22BrN7O4S/c1-16-7-5-6-10-20(16)27-14-22-29-31-25(32(22)19-8-3-2-4-9-19)38-15-23(34)30-28-13-17-11-18(26)12-21(24(17)35)33(36)37/h2-13,27,35H,14-15H2,1H3,(H,30,34)

InChI Key

VHTFEXZTGYLNNX-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

596.46

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

5.155

Distribution Coefficient, logD

4.317

Water Solubility, LogSw

-4.87

Polar Surface Area

119.431

Acid Dissociation Constant (pKa)

6.63

Base Dissociation Constant (pKb)

4.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with Y508-8519 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y508-8519?
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What is the minimum amount of Y508-8519 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y508-8519
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y508-8519
  • 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 Y508-8519 available by request