Y508-2906 Screening compound: N'~1~-[(E)-1-(1,3-benzodioxol-5-yl)methylidene]-2-({5-[(4-chloro-2-methylanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetohydrazide

Y508-2906 Screening compound: N'~1~-[(E)-1-(1,3-benzodioxol-5-yl)methylidene]-2-({5-[(4-chloro-2-methylanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetohydrazide
Y508-2906 Screening compound: N'~1~-[(E)-1-(1,3-benzodioxol-5-yl)methylidene]-2-({5-[(4-chloro-2-methylanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y508-2906
N'~1~-[(E)-1-(1,3-benzodioxol-5-yl)methylidene]-2-({5-[(4-chloro-2-methylanilino)methyl]-4-phenyl-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

Y508-2906

Molecular Formula

C26H23ClN6O3S (C26 H23 ClN6 O3 S)

Compound Name

N'~1~-[(E)-1-(1,3-benzodioxol-5-yl)methylidene]-2-({5-[(4-chloro-2-methylanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetohydrazide

IUPAC name

n/a

SMILES

Cc(cc(cc1)Cl)c1NCc(n1-c2ccccc2)nnc1SCC(N/N=C/c(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C26H23ClN6O3S/c1-17-11-19(27)8-9-21(17)28-14-24-30-32-26(33(24)20-5-3-2-4-6-20)37-15-25(34)31-29-13-18-7-10-22-23(12-18)36-16-35-22/h2-13,28H,14-16H2,1H3,(H,31,34)

InChI Key

BVRNGVGQFNRAIC-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

535.03

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.131

Distribution Coefficient, logD

5.131

Water Solubility, LogSw

-5.72

Polar Surface Area

87.986

Acid Dissociation Constant (pKa)

11.09

Base Dissociation Constant (pKb)

1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with Y508-2906 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y508-2906?
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What is the minimum amount of Y508-2906 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y508-2906
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y508-2906
  • 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 Y508-2906 available by request