G428-0479 Screening compound: N~1~-(1,3-benzodioxol-5-yl)-2-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)sulfonyl]acetamide

G428-0479 Screening compound: N~1~-(1,3-benzodioxol-5-yl)-2-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)sulfonyl]acetamide
G428-0479 Screening compound: N~1~-(1,3-benzodioxol-5-yl)-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 G428-0479
N~1~-(1,3-benzodioxol-5-yl)-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

G428-0479

Molecular Formula

C16H13N3O7S2 (C16 H13 N3 O7 S2)

Compound Name

N~1~-(1,3-benzodioxol-5-yl)-2-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)sulfonyl]acetamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-[(11-dioxo-4H-1lambda624-benzothiadiazin-7-yl)sulfonyl]acetamide

SMILES

O=C(CS(c(cc1)cc2c1NC=NS2(=O)=O)(=O)=O)Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C16H13N3O7S2/c20-16(19-10-1-4-13-14(5-10)26-9-25-13)7-27(21,22)11-2-3-12-15(6-11)28(23,24)18-8-17-12/h1-6,8H,7,9H2,(H,17,18)(H,19,20)

InChI Key

WMLWPSXJBIXSMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15013553

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.43

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.058

Distribution Coefficient, logD

1.024

Water Solubility, LogSw

-2.46

Polar Surface Area

122.353

Acid Dissociation Constant (pKa)

8.49

Base Dissociation Constant (pKb)

0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

G428-0479 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G428-0479 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G428-0479?
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What is the minimum amount of G428-0479 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G428-0479
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G428-0479
  • 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 G428-0479 available by request