Y509-5676 Screening compound: N~1~-(1,3-benzodioxol-5-yl)-2-[(5-{2-[(E)-1-(1H-indol-3-yl)methylidene]hydrazino}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide

Y509-5676 Screening compound: N~1~-(1,3-benzodioxol-5-yl)-2-[(5-{2-[(E)-1-(1H-indol-3-yl)methylidene]hydrazino}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Y509-5676 Screening compound: N~1~-(1,3-benzodioxol-5-yl)-2-[(5-{2-[(E)-1-(1H-indol-3-yl)methylidene]hydrazino}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y509-5676
N~1~-(1,3-benzodioxol-5-yl)-2-[(5-{2-[(E)-1-(1H-indol-3-yl)methylidene]hydrazino}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide

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

Y509-5676

Molecular Formula

C20H17N7O3S (C20 H17 N7 O3 S)

Compound Name

N~1~-(1,3-benzodioxol-5-yl)-2-[(5-{2-[(E)-1-(1H-indol-3-yl)methylidene]hydrazino}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide

IUPAC name

n/a

SMILES

O=C(CSc1nnc(N/N=C/c2c[nH]c3c2cccc3)[nH]1)Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C20H17N7O3S/c28-18(23-13-5-6-16-17(7-13)30-11-29-16)10-31-20-24-19(26-27-20)25-22-9-12-8-21-15-4-2-1-3-14(12)15/h1-9,21H,10-11H2,(H,23,28)(H2,24,25,26,27)

InChI Key

QTKDFMPHVPFLHM-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.635

Distribution Coefficient, logD

2.597

Water Solubility, LogSw

-3.16

Polar Surface Area

105.152

Acid Dissociation Constant (pKa)

8.44

Base Dissociation Constant (pKb)

2.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with Y509-5676 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y509-5676?
Check Price and Availability of Y509-5676, 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 Y509-5676 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y509-5676
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y509-5676
  • 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 Y509-5676 available by request