G428-0077 Screening compound: 2-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)sulfonyl]-N~1~-(4-methoxybenzyl)acetamide

G428-0077 Screening compound: 2-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)sulfonyl]-N~1~-(4-methoxybenzyl)acetamide
G428-0077 Screening compound: 2-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)sulfonyl]-N~1~-(4-methoxybenzyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G428-0077
2-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)sulfonyl]-N~1~-(4-methoxybenzyl)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

G428-0077

Molecular Formula

C17H17N3O6S2 (C17 H17 N3 O6 S2)

Compound Name

2-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)sulfonyl]-N~1~-(4-methoxybenzyl)acetamide

IUPAC name

n/a

SMILES

COc1ccc(CNC(CS(c(cc2)cc3c2NC=NS3(=O)=O)(=O)=O)=O)cc1

InChI

InChI=1S/C17H17N3O6S2/c1-26-13-4-2-12(3-5-13)9-18-17(21)10-27(22,23)14-6-7-15-16(8-14)28(24,25)20-11-19-15/h2-8,11H,9-10H2,1H3,(H,18,21)(H,19,20)

InChI Key

RELHANSXPJGOAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15013548

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.47

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.888

Distribution Coefficient, logD

0.854

Water Solubility, LogSw

-2.49

Polar Surface Area

114.103

Acid Dissociation Constant (pKa)

8.49

Base Dissociation Constant (pKb)

0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

G428-0077 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G428-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G428-0077?
Check Price and Availability of G428-0077, 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 G428-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G428-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G428-0077
  • 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 G428-0077 available by request