Y503-4087 Screening compound: N-(3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-yl)-N-{(E)-1-[3-(ethoxymethyl)-4-methoxyphenyl]methylidene}amine

Y503-4087 Screening compound: N-(3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-yl)-N-{(E)-1-[3-(ethoxymethyl)-4-methoxyphenyl]methylidene}amine
Y503-4087 Screening compound: N-(3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-yl)-N-{(E)-1-[3-(ethoxymethyl)-4-methoxyphenyl]methylidene}amine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y503-4087
N-(3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-yl)-N-{(E)-1-[3-(ethoxymethyl)-4-methoxyphenyl]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

Y503-4087

Molecular Formula

C20H25N7O4S (C20 H25 N7 O4 S)

Compound Name

N-(3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-yl)-N-{(E)-1-[3-(ethoxymethyl)-4-methoxyphenyl]methylidene}amine

IUPAC name

(E)-N-(3-{[(35-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-124-triazol-4-yl)-1-[3-(ethoxymethyl)-4-methoxyphenyl]methanimine

SMILES

CCOCc(cc(/C=N/n1c(SCn2nc(C)c([N+]([O-])=O)c2C)nnc1C)cc1)c1OC

InChI

InChI=1S/C20H25N7O4S/c1-6-31-11-17-9-16(7-8-18(17)30-5)10-21-26-15(4)22-23-20(26)32-12-25-14(3)19(27(28)29)13(2)24-25/h7-10H,6,11-12H2,1-5H3

InChI Key

MZNDEVPURLWSDE-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.938

Distribution Coefficient, logD

1.937

Water Solubility, LogSw

-2.41

Polar Surface Area

97.533

Acid Dissociation Constant (pKa)

27.41

Base Dissociation Constant (pKb)

4.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with Y503-4087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y503-4087?
Check Price and Availability of Y503-4087, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y503-4087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y503-4087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y503-4087
  • 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 Y503-4087 available by request