Y508-8833 Screening compound: N-[3-(butylsulfanyl)-5-(difluoromethyl)-4H-1,2,4-triazol-4-yl]-N-((E)-1-{5-[(2,3,5,6-tetrafluorophenoxy)methyl]-2-furyl}methylidene)amine

Y508-8833 Screening compound: N-[3-(butylsulfanyl)-5-(difluoromethyl)-4H-1,2,4-triazol-4-yl]-N-((E)-1-{5-[(2,3,5,6-tetrafluorophenoxy)methyl]-2-furyl}methylidene)amine
Y508-8833 Screening compound: N-[3-(butylsulfanyl)-5-(difluoromethyl)-4H-1,2,4-triazol-4-yl]-N-((E)-1-{5-[(2,3,5,6-tetrafluorophenoxy)methyl]-2-furyl}methylidene)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y508-8833
N-[3-(butylsulfanyl)-5-(difluoromethyl)-4H-1,2,4-triazol-4-yl]-N-((E)-1-{5-[(2,3,5,6-tetrafluorophenoxy)methyl]-2-furyl}methylidene)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

Y508-8833

Molecular Formula

C19H16F6N4O2S (C19 H16 F6 N4 O2 S)

Compound Name

N-[3-(butylsulfanyl)-5-(difluoromethyl)-4H-1,2,4-triazol-4-yl]-N-((E)-1-{5-[(2,3,5,6-tetrafluorophenoxy)methyl]-2-furyl}methylidene)amine

IUPAC name

n/a

SMILES

CCCCSc1nnc(C(F)F)n1/N=C/c1ccc(COc(c(F)c(cc2F)F)c2F)o1

InChI

InChI=1S/C19H16F6N4O2S/c1-2-3-6-32-19-28-27-18(17(24)25)29(19)26-8-10-4-5-11(31-10)9-30-16-14(22)12(20)7-13(21)15(16)23/h4-5,7-8,17H,2-3,6,9H2,1H3

InChI Key

HEHMLTZIICVBIT-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.275

Distribution Coefficient, logD

5.275

Water Solubility, LogSw

-5.19

Polar Surface Area

50.289

Acid Dissociation Constant (pKa)

25.38

Base Dissociation Constant (pKb)

3.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with Y508-8833 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y508-8833?
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What is the minimum amount of Y508-8833 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y508-8833
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y508-8833
  • 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 Y508-8833 available by request