Y508-2858 Screening compound: 2-{[5-(anilinomethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'~1~-[(E)-1-(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]propanohydrazide

Y508-2858 Screening compound: 2-{[5-(anilinomethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'~1~-[(E)-1-(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]propanohydrazide
Y508-2858 Screening compound: 2-{[5-(anilinomethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'~1~-[(E)-1-(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]propanohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y508-2858
2-{[5-(anilinomethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'~1~-[(E)-1-(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]propanohydrazide

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

Y508-2858

Molecular Formula

C26H25BrN6O3S (C26 H25 BrN6 O3 S)

Compound Name

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

IUPAC name

n/a

SMILES

CC(C(N/N=C/c1cc(Br)cc(OC)c1O)=O)Sc1nnc(CNc2ccccc2)n1-c1ccccc1

InChI

InChI=1S/C26H25BrN6O3S/c1-17(25(35)31-29-15-18-13-19(27)14-22(36-2)24(18)34)37-26-32-30-23(16-28-20-9-5-3-6-10-20)33(26)21-11-7-4-8-12-21/h3-15,17,28,34H,16H2,1-2H3,(H,31,35)/t17-/m0/s1

InChI Key

NKOQXAMLVADULX-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

581.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.086

Distribution Coefficient, logD

5.080

Water Solubility, LogSw

-4.72

Polar Surface Area

94.892

Acid Dissociation Constant (pKa)

9.29

Base Dissociation Constant (pKb)

-0.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with Y508-2858 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y508-2858?
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What is the minimum amount of Y508-2858 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y508-2858
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y508-2858
  • 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 Y508-2858 available by request