G856-6516 Screening compound: 2-{[6-(2H-1,3-benzodioxol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-N-[(2-methoxyphenyl)methyl]acetamide

G856-6516 Screening compound: 2-{[6-(2H-1,3-benzodioxol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-N-[(2-methoxyphenyl)methyl]acetamide
G856-6516 Screening compound: 2-{[6-(2H-1,3-benzodioxol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-N-[(2-methoxyphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-6516
2-{[6-(2H-1,3-benzodioxol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-N-[(2-methoxyphenyl)methyl]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

G856-6516

Molecular Formula

C22H19N5O4S (C22 H19 N5 O4 S)

Compound Name

2-{[6-(2H-1,3-benzodioxol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-N-[(2-methoxyphenyl)methyl]acetamide

IUPAC name

2-{[6-(2H-13-benzodioxol-5-yl)-[124]triazolo[43-b]pyridazin-3-yl]sulfanyl}-N-[(2-methoxyphenyl)methyl]acetamide

SMILES

COc1c(CNC(CSc2nnc(cc3)n2nc3-c(cc2)cc3c2OCO3)=O)cccc1

InChI

InChI=1S/C22H19N5O4S/c1-29-17-5-3-2-4-15(17)11-23-21(28)12-32-22-25-24-20-9-7-16(26-27(20)22)14-6-8-18-19(10-14)31-13-30-18/h2-10H,11-13H2,1H3,(H,23,28)

InChI Key

FSKYRXVBMIJZRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06711205

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.290

Distribution Coefficient, logD

3.290

Water Solubility, LogSw

-3.56

Polar Surface Area

81.925

Acid Dissociation Constant (pKa)

13.29

Base Dissociation Constant (pKb)

1.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

G856-6516 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with G856-6516 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-6516?
Check Price and Availability of G856-6516, 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 G856-6516 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-6516
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-6516
  • 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 G856-6516 available by request