G743-0084 Screening compound: 4-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-N~1~-isobutylbenzamide

G743-0084 Screening compound: 4-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-N~1~-isobutylbenzamide
G743-0084 Screening compound: 4-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-N~1~-isobutylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G743-0084
4-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-N~1~-isobutylbenzamide

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

G743-0084

Molecular Formula

C18H21N3O3S (C18 H21 N3 O3 S)

Compound Name

4-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-N~1~-isobutylbenzamide

IUPAC name

4-(11-dioxo-34-dihydro-2H-1lambda624-benzothiadiazin-3-yl)-N-(2-methylpropyl)benzamide

SMILES

CC(C)CNC(c1ccc(C(Nc2c3cccc2)NS3(=O)=O)cc1)=O

InChI

InChI=1S/C18H21N3O3S/c1-12(2)11-19-18(22)14-9-7-13(8-10-14)17-20-15-5-3-4-6-16(15)25(23,24)21-17/h3-10,12,17,20-21H,11H2,1-2H3,(H,19,22)/t17-/m0/s1

InChI Key

LFEZNFVQVJOZDA-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD15031129

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.942

Distribution Coefficient, logD

1.942

Water Solubility, LogSw

-2.47

Polar Surface Area

76.786

Acid Dissociation Constant (pKa)

10.76

Base Dissociation Constant (pKb)

-1.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

G743-0084 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • 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 G743-0084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G743-0084?
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What is the minimum amount of G743-0084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G743-0084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G743-0084
  • 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 G743-0084 available by request