Y508-9841 Screening compound: 5-(difluoromethyl)-4-[((E)-1-{4-methoxy-3-[(2-methylphenoxy)methyl]phenyl}methylidene)amino]-4H-1,2,4-triazol-3-ylhydrosulfide

Y508-9841 Screening compound: 5-(difluoromethyl)-4-[((E)-1-{4-methoxy-3-[(2-methylphenoxy)methyl]phenyl}methylidene)amino]-4H-1,2,4-triazol-3-ylhydrosulfide
Y508-9841 Screening compound: 5-(difluoromethyl)-4-[((E)-1-{4-methoxy-3-[(2-methylphenoxy)methyl]phenyl}methylidene)amino]-4H-1,2,4-triazol-3-ylhydrosulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y508-9841
5-(difluoromethyl)-4-[((E)-1-{4-methoxy-3-[(2-methylphenoxy)methyl]phenyl}methylidene)amino]-4H-1,2,4-triazol-3-ylhydrosulfide

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

Y508-9841

Molecular Formula

C19H18F2N4O2S (C19 H18 F2 N4 O2 S)

Compound Name

5-(difluoromethyl)-4-[((E)-1-{4-methoxy-3-[(2-methylphenoxy)methyl]phenyl}methylidene)amino]-4H-1,2,4-triazol-3-ylhydrosulfide

IUPAC name

n/a

SMILES

Cc(cccc1)c1OCc(cc(/C=N/n1c(S)nnc1C(F)F)cc1)c1OC

InChI

InChI=1S/C19H18F2N4O2S/c1-12-5-3-4-6-15(12)27-11-14-9-13(7-8-16(14)26-2)10-22-25-18(17(20)21)23-24-19(25)28/h3-10,17H,11H2,1-2H3,(H,24,28)

InChI Key

UOZLMMRECPUCJF-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.318

Distribution Coefficient, logD

2.573

Water Solubility, LogSw

-3.41

Polar Surface Area

49.295

Acid Dissociation Constant (pKa)

6.74

Base Dissociation Constant (pKb)

4.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

References: we are preparing a list of scientific research reports with Y508-9841 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y508-9841?
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What is the minimum amount of Y508-9841 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y508-9841
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y508-9841
  • 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 Y508-9841 available by request