Y508-9046 Screening compound: N-((E)-1-{5-[(2-chloro-6-methylphenoxy)methyl]-2-furyl}methylidene)-N-[3-(2-furyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]amine

Y508-9046 Screening compound: N-((E)-1-{5-[(2-chloro-6-methylphenoxy)methyl]-2-furyl}methylidene)-N-[3-(2-furyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]amine
Y508-9046 Screening compound: N-((E)-1-{5-[(2-chloro-6-methylphenoxy)methyl]-2-furyl}methylidene)-N-[3-(2-furyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y508-9046
N-((E)-1-{5-[(2-chloro-6-methylphenoxy)methyl]-2-furyl}methylidene)-N-[3-(2-furyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]amine

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

Y508-9046

Molecular Formula

C20H17ClN4O3S (C20 H17 ClN4 O3 S)

Compound Name

N-((E)-1-{5-[(2-chloro-6-methylphenoxy)methyl]-2-furyl}methylidene)-N-[3-(2-furyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]amine

IUPAC name

n/a

SMILES

Cc1cccc(Cl)c1OCc1ccc(/C=N/n2c(SC)nnc2-c2ccco2)o1

InChI

InChI=1S/C20H17ClN4O3S/c1-13-5-3-6-16(21)18(13)27-12-15-9-8-14(28-15)11-22-25-19(17-7-4-10-26-17)23-24-20(25)29-2/h3-11H,12H2,1-2H3

InChI Key

XOTQPZVNMUSSJI-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.856

Distribution Coefficient, logD

4.856

Water Solubility, LogSw

-4.86

Polar Surface Area

58.596

Acid Dissociation Constant (pKa)

28.28

Base Dissociation Constant (pKb)

4.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with Y508-9046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y508-9046?
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What is the minimum amount of Y508-9046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y508-9046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y508-9046
  • 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 Y508-9046 available by request