G743-0436 Screening compound: 4-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-N~1~-(2-ethoxyphenyl)benzamide

G743-0436 Screening compound: 4-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-N~1~-(2-ethoxyphenyl)benzamide
G743-0436 Screening compound: 4-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-N~1~-(2-ethoxyphenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G743-0436
4-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-N~1~-(2-ethoxyphenyl)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

G743-0436

Molecular Formula

C22H21N3O4S (C22 H21 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cccc1)c1NC(c1ccc(C(Nc2c3cccc2)NS3(=O)=O)cc1)=O

InChI

InChI=1S/C22H21N3O4S/c1-2-29-19-9-5-3-7-17(19)24-22(26)16-13-11-15(12-14-16)21-23-18-8-4-6-10-20(18)30(27,28)25-21/h3-14,21,23,25H,2H2,1H3,(H,24,26)/t21-/m0/s1

InChI Key

XTOOJIDQIZFFGN-NRFANRHFSA-N

MDL Number (MFCD)

MFCD15031185

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.064

Distribution Coefficient, logD

3.062

Water Solubility, LogSw

-3.62

Polar Surface Area

81.704

Acid Dissociation Constant (pKa)

9.68

Base Dissociation Constant (pKb)

-1.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

G743-0436 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with G743-0436 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G743-0436?
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What is the minimum amount of G743-0436 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G743-0436
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G743-0436
  • 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 G743-0436 available by request