G428-0040 Screening compound: N~1~-(2-bromophenyl)-2-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)sulfonyl]acetamide

G428-0040 Screening compound: N~1~-(2-bromophenyl)-2-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)sulfonyl]acetamide
G428-0040 Screening compound: N~1~-(2-bromophenyl)-2-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)sulfonyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G428-0040
N~1~-(2-bromophenyl)-2-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)sulfonyl]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

G428-0040

Molecular Formula

C15H12BrN3O5S2 (C15 H12 BrN3 O5 S2)

Compound Name

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

IUPAC name

N-(2-bromophenyl)-2-[(11-dioxo-4H-1lambda624-benzothiadiazin-7-yl)sulfonyl]acetamide

SMILES

O=C(CS(c(cc1)cc2c1NC=NS2(=O)=O)(=O)=O)Nc(cccc1)c1Br

InChI

InChI=1S/C15H12BrN3O5S2/c16-11-3-1-2-4-12(11)19-15(20)8-25(21,22)10-5-6-13-14(7-10)26(23,24)18-9-17-13/h1-7,9H,8H2,(H,17,18)(H,19,20)

InChI Key

IFSCYNGAKYBSHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15013530

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.31

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.487

Distribution Coefficient, logD

1.454

Water Solubility, LogSw

-2.54

Polar Surface Area

104.540

Acid Dissociation Constant (pKa)

8.49

Base Dissociation Constant (pKb)

0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

G428-0040 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with G428-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G428-0040?
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What is the minimum amount of G428-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G428-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G428-0040
  • 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 G428-0040 available by request