G786-0359 Screening compound: N-[(2Z)-3-(2-methoxyethyl)-6-sulfamoyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

G786-0359 Screening compound: N-[(2Z)-3-(2-methoxyethyl)-6-sulfamoyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
G786-0359 Screening compound: N-[(2Z)-3-(2-methoxyethyl)-6-sulfamoyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-2,3-dihydro-1,4-benzodioxine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-0359
N-[(2Z)-3-(2-methoxyethyl)-6-sulfamoyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

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

G786-0359

Molecular Formula

C19H19N3O6S2 (C19 H19 N3 O6 S2)

Compound Name

N-[(2Z)-3-(2-methoxyethyl)-6-sulfamoyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

IUPAC name

N-[(2Z)-3-(2-methoxyethyl)-6-sulfamoyl-23-dihydro-13-benzothiazol-2-ylidene]-23-dihydro-14-benzodioxine-6-carboxamide

SMILES

COCCN(c(ccc(S(N)(=O)=O)c1)c1S1)/C1=N/C(c(cc1)cc2c1OCCO2)=O

InChI

InChI=1S/C19H19N3O6S2/c1-26-7-6-22-14-4-3-13(30(20,24)25)11-17(14)29-19(22)21-18(23)12-2-5-15-16(10-12)28-9-8-27-15/h2-5,10-11H,6-9H2,1H3,(H2,20,24,25)

InChI Key

UTZQLWMHKOTYPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04431769

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.51

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.050

Distribution Coefficient, logD

1.049

Water Solubility, LogSw

-2.27

Polar Surface Area

100.277

Acid Dissociation Constant (pKa)

9.98

Base Dissociation Constant (pKb)

1.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

G786-0359 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with G786-0359 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-0359?
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What is the minimum amount of G786-0359 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-0359
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-0359
  • 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 G786-0359 available by request