Y508-3118 Screening compound: 4-({[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]imino}methyl)-2-ethoxy-3-nitrophenol

Y508-3118 Screening compound: 4-({[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]imino}methyl)-2-ethoxy-3-nitrophenol
Y508-3118 Screening compound: 4-({[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]imino}methyl)-2-ethoxy-3-nitrophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound Y508-3118
4-({[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]imino}methyl)-2-ethoxy-3-nitrophenol

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

Y508-3118

Molecular Formula

C17H19N7O4 (C17 H19 N7 O4)

Compound Name

4-({[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]imino}methyl)-2-ethoxy-3-nitrophenol

IUPAC name

n/a

SMILES

CCOc(c(O)ccc1/C=N/n2c(-n3nc(C)cc3C)nnc2C)c1[N+]([O-])=O

InChI

InChI=1S/C17H19N7O4/c1-5-28-16-14(25)7-6-13(15(16)24(26)27)9-18-23-12(4)19-20-17(23)22-11(3)8-10(2)21-22/h6-9,25H,5H2,1-4H3

InChI Key

PJXZCFZEHXLDKC-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.38

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.702

Distribution Coefficient, logD

1.636

Water Solubility, LogSw

-1.87

Polar Surface Area

106.109

Acid Dissociation Constant (pKa)

8.18

Base Dissociation Constant (pKb)

2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

References: we are preparing a list of scientific research reports with Y508-3118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y508-3118?
Check Price and Availability of Y508-3118, 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 Y508-3118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y508-3118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y508-3118
  • 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 Y508-3118 available by request