G743-0003 Screening compound: 4-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-N~1~-(2-furylmethyl)benzamide

G743-0003 Screening compound: 4-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-N~1~-(2-furylmethyl)benzamide
G743-0003 Screening compound: 4-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-N~1~-(2-furylmethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G743-0003
4-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-N~1~-(2-furylmethyl)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

G743-0003

Molecular Formula

C19H17N3O4S (C19 H17 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1ccc(C(Nc2c3cccc2)NS3(=O)=O)cc1)NCc1ccco1

InChI

InChI=1S/C19H17N3O4S/c23-19(20-12-15-4-3-11-26-15)14-9-7-13(8-10-14)18-21-16-5-1-2-6-17(16)27(24,25)22-18/h1-11,18,21-22H,12H2,(H,20,23)/t18-/m0/s1

InChI Key

NOUXVMJVRXANBJ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD15031083

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.107

Distribution Coefficient, logD

2.107

Water Solubility, LogSw

-2.70

Polar Surface Area

84.263

Acid Dissociation Constant (pKa)

10.76

Base Dissociation Constant (pKb)

-4.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.50

G743-0003 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with G743-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G743-0003?
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What is the minimum amount of G743-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G743-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G743-0003
  • 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 G743-0003 available by request