G114-0407 Screening compound: N-(3,4-dimethoxyphenyl)-2-[6-(dimethylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide

G114-0407 Screening compound: N-(3,4-dimethoxyphenyl)-2-[6-(dimethylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide
G114-0407 Screening compound: N-(3,4-dimethoxyphenyl)-2-[6-(dimethylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G114-0407
N-(3,4-dimethoxyphenyl)-2-[6-(dimethylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide

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

G114-0407

Molecular Formula

C20H23N3O6S2 (C20 H23 N3 O6 S2)

Compound Name

N-(3,4-dimethoxyphenyl)-2-[6-(dimethylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide

IUPAC name

N-(34-dimethoxyphenyl)-2-[6-(dimethylsulfamoyl)-3-oxo-34-dihydro-2H-14-benzothiazin-4-yl]acetamide

SMILES

CN(C)S(c(cc1)cc(N2CC(Nc(cc3)cc(OC)c3OC)=O)c1SCC2=O)(=O)=O

InChI

InChI=1S/C20H23N3O6S2/c1-22(2)31(26,27)14-6-8-18-15(10-14)23(20(25)12-30-18)11-19(24)21-13-5-7-16(28-3)17(9-13)29-4/h5-10H,11-12H2,1-4H3,(H,21,24)

InChI Key

WGIPSCOKEPTCSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14980702

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.55

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.973

Distribution Coefficient, logD

1.973

Water Solubility, LogSw

-2.97

Polar Surface Area

87.693

Acid Dissociation Constant (pKa)

11.21

Base Dissociation Constant (pKb)

1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

G114-0407 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with G114-0407 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G114-0407?
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What is the minimum amount of G114-0407 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G114-0407
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G114-0407
  • 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 G114-0407 available by request