Y503-4774 Screening compound: N-((E)-1-{5-[(2,4-dichlorophenoxy)methyl]-2-furyl}methylidene)-N-[3-(propylsulfanyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-4-yl]amine

Y503-4774 Screening compound: N-((E)-1-{5-[(2,4-dichlorophenoxy)methyl]-2-furyl}methylidene)-N-[3-(propylsulfanyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-4-yl]amine
Y503-4774 Screening compound: N-((E)-1-{5-[(2,4-dichlorophenoxy)methyl]-2-furyl}methylidene)-N-[3-(propylsulfanyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-4-yl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y503-4774
N-((E)-1-{5-[(2,4-dichlorophenoxy)methyl]-2-furyl}methylidene)-N-[3-(propylsulfanyl)-5-(trifluoromethyl)-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

Y503-4774

Molecular Formula

C18H15Cl2F3N4O2S (C18 H15 Cl2 F3 N4 O2 S)

Compound Name

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

IUPAC name

(E)-1-{5-[(24-dichlorophenoxy)methyl]furan-2-yl}-N-[3-(propylsulfanyl)-5-(trifluoromethyl)-4H-124-triazol-4-yl]methanimine

SMILES

CCCSc1nnc(C(F)(F)F)n1/N=C/c1ccc(COc(ccc(Cl)c2)c2Cl)o1

InChI

InChI=1S/C18H15Cl2F3N4O2S/c1-2-7-30-17-26-25-16(18(21,22)23)27(17)24-9-12-4-5-13(29-12)10-28-15-6-3-11(19)8-14(15)20/h3-6,8-9H,2,7,10H2,1H3

InChI Key

MMHMNBIIDCEFGM-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.610

Distribution Coefficient, logD

5.610

Water Solubility, LogSw

-5.99

Polar Surface Area

50.202

Acid Dissociation Constant (pKa)

26.28

Base Dissociation Constant (pKb)

3.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.78

References: we are preparing a list of scientific research reports with Y503-4774 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y503-4774?
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What is the minimum amount of Y503-4774 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y503-4774
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y503-4774
  • 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 Y503-4774 available by request