G743-0121 Screening compound: 4-[1,1-dioxo-6-(trifluoromethyl)-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl]-N~1~-(2-methoxybenzyl)benzamide

G743-0121 Screening compound: 4-[1,1-dioxo-6-(trifluoromethyl)-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl]-N~1~-(2-methoxybenzyl)benzamide
G743-0121 Screening compound: 4-[1,1-dioxo-6-(trifluoromethyl)-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl]-N~1~-(2-methoxybenzyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G743-0121
4-[1,1-dioxo-6-(trifluoromethyl)-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl]-N~1~-(2-methoxybenzyl)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

G743-0121

Molecular Formula

C23H20F3N3O4S (C23 H20 F3 N3 O4 S)

Compound Name

4-[1,1-dioxo-6-(trifluoromethyl)-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl]-N~1~-(2-methoxybenzyl)benzamide

IUPAC name

4-[11-dioxo-6-(trifluoromethyl)-34-dihydro-2H-1lambda624-benzothiadiazin-3-yl]-N-[(2-methoxyphenyl)methyl]benzamide

SMILES

COc1c(CNC(c2ccc(C(Nc3c4ccc(C(F)(F)F)c3)NS4(=O)=O)cc2)=O)cccc1

InChI

InChI=1S/C23H20F3N3O4S/c1-33-19-5-3-2-4-16(19)13-27-22(30)15-8-6-14(7-9-15)21-28-18-12-17(23(24,25)26)10-11-20(18)34(31,32)29-21/h2-12,21,28-29H,13H2,1H3,(H,27,30)/t21-/m0/s1

InChI Key

GRRCBPJRHIFUNB-NRFANRHFSA-N

MDL Number (MFCD)

MFCD15031149

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.609

Distribution Coefficient, logD

3.609

Water Solubility, LogSw

-3.92

Polar Surface Area

84.144

Acid Dissociation Constant (pKa)

10.76

Base Dissociation Constant (pKb)

-4.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with G743-0121 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of G743-0121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G743-0121
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  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G743-0121
  • 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 G743-0121 available by request