Y508-8971 Screening compound: N-((E)-1-{5-[(2,3-dichlorophenoxy)methyl]-2-furyl}methylidene)-N-[3-(difluoromethyl)-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-yl]amine

Y508-8971 Screening compound: N-((E)-1-{5-[(2,3-dichlorophenoxy)methyl]-2-furyl}methylidene)-N-[3-(difluoromethyl)-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-yl]amine
Y508-8971 Screening compound: N-((E)-1-{5-[(2,3-dichlorophenoxy)methyl]-2-furyl}methylidene)-N-[3-(difluoromethyl)-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-yl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y508-8971
N-((E)-1-{5-[(2,3-dichlorophenoxy)methyl]-2-furyl}methylidene)-N-[3-(difluoromethyl)-5-(ethylsulfanyl)-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

Y508-8971

Molecular Formula

C17H14Cl2F2N4O2S (C17 H14 Cl2 F2 N4 O2 S)

Compound Name

N-((E)-1-{5-[(2,3-dichlorophenoxy)methyl]-2-furyl}methylidene)-N-[3-(difluoromethyl)-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-yl]amine

IUPAC name

n/a

SMILES

CCSc1nnc(C(F)F)n1/N=C/c1ccc(COc2cccc(Cl)c2Cl)o1

InChI

InChI=1S/C17H14Cl2F2N4O2S/c1-2-28-17-24-23-16(15(20)21)25(17)22-8-10-6-7-11(27-10)9-26-13-5-3-4-12(18)14(13)19/h3-8,15H,2,9H2,1H3

InChI Key

TUELZRCBPNVTDF-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.805

Distribution Coefficient, logD

4.804

Water Solubility, LogSw

-4.96

Polar Surface Area

50.202

Acid Dissociation Constant (pKa)

25.38

Base Dissociation Constant (pKb)

3.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

References: we are preparing a list of scientific research reports with Y508-8971 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y508-8971?
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What is the minimum amount of Y508-8971 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y508-8971
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y508-8971
  • 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 Y508-8971 available by request