G857-0276 Screening compound: benzyl 2-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]acetate

G857-0276 Screening compound: benzyl 2-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]acetate
G857-0276 Screening compound: benzyl 2-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G857-0276
benzyl 2-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]acetate

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

G857-0276

Molecular Formula

C16H14N2O4S2 (C16 H14 N2 O4 S2)

Compound Name

benzyl 2-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]acetate

IUPAC name

benzyl 2-[(11-dioxo-4H-1lambda624-benzothiadiazin-3-yl)sulfanyl]acetate

SMILES

O=C(CSC(Nc1c2cccc1)=NS2(=O)=O)OCc1ccccc1

InChI

InChI=1S/C16H14N2O4S2/c19-15(22-10-12-6-2-1-3-7-12)11-23-16-17-13-8-4-5-9-14(13)24(20,21)18-16/h1-9H,10-11H2,(H,17,18)

InChI Key

QILXOIMZSZAYQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07651509

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.608

Distribution Coefficient, logD

2.551

Water Solubility, LogSw

-3.06

Polar Surface Area

73.240

Acid Dissociation Constant (pKa)

8.26

Base Dissociation Constant (pKb)

0.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

G857-0276 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G857-0276 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G857-0276?
Check Price and Availability of G857-0276, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G857-0276 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G857-0276
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G857-0276
  • 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 G857-0276 available by request