G743-0391 Screening compound: N~1~-(4-bromobenzyl)-4-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl)benzamide

G743-0391 Screening compound: N~1~-(4-bromobenzyl)-4-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl)benzamide
G743-0391 Screening compound: N~1~-(4-bromobenzyl)-4-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G743-0391
N~1~-(4-bromobenzyl)-4-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl)benzamide

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

G743-0391

Molecular Formula

C21H18BrN3O3S (C21 H18 BrN3 O3 S)

Compound Name

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

IUPAC name

N-[(4-bromophenyl)methyl]-4-(11-dioxo-34-dihydro-2H-1lambda624-benzothiadiazin-3-yl)benzamide

SMILES

O=C(c1ccc(C(Nc2c3cccc2)NS3(=O)=O)cc1)NCc(cc1)ccc1Br

InChI

InChI=1S/C21H18BrN3O3S/c22-17-11-5-14(6-12-17)13-23-21(26)16-9-7-15(8-10-16)20-24-18-3-1-2-4-19(18)29(27,28)25-20/h1-12,20,24-25H,13H2,(H,23,26)/t20-/m0/s1

InChI Key

GXAWASPCGFHYCG-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD15031184

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.36

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

3.191

Distribution Coefficient, logD

3.191

Water Solubility, LogSw

-3.52

Polar Surface Area

76.514

Acid Dissociation Constant (pKa)

10.76

Base Dissociation Constant (pKb)

-4.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.50

G743-0391 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with G743-0391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G743-0391?
Check Price and Availability of G743-0391, 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 G743-0391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G743-0391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G743-0391
  • 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 G743-0391 available by request