Y503-4713 Screening compound: N-[3-(2-furyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-N-((E)-1-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]-2-furyl}methylidene)amine

Y503-4713 Screening compound: N-[3-(2-furyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-N-((E)-1-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]-2-furyl}methylidene)amine
Y503-4713 Screening compound: N-[3-(2-furyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-N-((E)-1-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]-2-furyl}methylidene)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y503-4713
N-[3-(2-furyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-N-((E)-1-{5-[(4-nitro-1H-pyrazol-1-yl)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

Y503-4713

Molecular Formula

C16H13N7O4S (C16 H13 N7 O4 S)

Compound Name

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

IUPAC name

(E)-N-[3-(furan-2-yl)-5-(methylsulfanyl)-4H-124-triazol-4-yl]-1-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}methanimine

SMILES

CSc1nnc(-c2ccco2)n1/N=C/c1ccc(Cn2ncc([N+]([O-])=O)c2)o1

InChI

InChI=1S/C16H13N7O4S/c1-28-16-20-19-15(14-3-2-6-26-14)22(16)18-8-12-4-5-13(27-12)10-21-9-11(7-17-21)23(24)25/h2-9H,10H2,1H3

InChI Key

RYLPMVZMCWBTFW-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.39

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.084

Distribution Coefficient, logD

2.083

Water Solubility, LogSw

-2.26

Polar Surface Area

99.082

Acid Dissociation Constant (pKa)

28.28

Base Dissociation Constant (pKb)

4.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

Y503-4713 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y503-4713 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y503-4713?
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What is the minimum amount of Y503-4713 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y503-4713
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y503-4713
  • 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 Y503-4713 available by request