Y508-3161 Screening compound: 2-{[4-allyl-5-(anilinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'~1~-[(E)-1-(3-pyridyl)methylidene]acetohydrazide

Y508-3161 Screening compound: 2-{[4-allyl-5-(anilinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'~1~-[(E)-1-(3-pyridyl)methylidene]acetohydrazide
Y508-3161 Screening compound: 2-{[4-allyl-5-(anilinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'~1~-[(E)-1-(3-pyridyl)methylidene]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y508-3161
2-{[4-allyl-5-(anilinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'~1~-[(E)-1-(3-pyridyl)methylidene]acetohydrazide

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

Y508-3161

Molecular Formula

C20H21N7OS (C20 H21 N7 OS)

Compound Name

2-{[4-allyl-5-(anilinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'~1~-[(E)-1-(3-pyridyl)methylidene]acetohydrazide

IUPAC name

n/a

SMILES

C=CCn1c(SCC(N/N=C/c2cnccc2)=O)nnc1CNc1ccccc1

InChI

InChI=1S/C20H21N7OS/c1-2-11-27-18(14-22-17-8-4-3-5-9-17)24-26-20(27)29-15-19(28)25-23-13-16-7-6-10-21-12-16/h2-10,12-13,22H,1,11,14-15H2,(H,25,28)

InChI Key

ATJFKFNCARVIQD-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.154

Distribution Coefficient, logD

2.154

Water Solubility, LogSw

-2.04

Polar Surface Area

80.593

Acid Dissociation Constant (pKa)

10.28

Base Dissociation Constant (pKb)

2.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with Y508-3161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y508-3161?
Check Price and Availability of Y508-3161, 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 Y508-3161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y508-3161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y508-3161
  • 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 Y508-3161 available by request