G856-0176 Screening compound: N~1~-[5-(acetylamino)-2-methoxyphenyl]-3-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)propanamide

G856-0176 Screening compound: N~1~-[5-(acetylamino)-2-methoxyphenyl]-3-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)propanamide
G856-0176 Screening compound: N~1~-[5-(acetylamino)-2-methoxyphenyl]-3-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-0176
N~1~-[5-(acetylamino)-2-methoxyphenyl]-3-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)propanamide

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

G856-0176

Molecular Formula

C19H19N3O6S (C19 H19 N3 O6 S)

Compound Name

N~1~-[5-(acetylamino)-2-methoxyphenyl]-3-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)propanamide

IUPAC name

N-(5-acetamido-2-methoxyphenyl)-3-(113-trioxo-23-dihydro-1lambda62-benzothiazol-2-yl)propanamide

SMILES

CC(Nc(cc1)cc(NC(CCN(C(c2c3cccc2)=O)S3(=O)=O)=O)c1OC)=O

InChI

InChI=1S/C19H19N3O6S/c1-12(23)20-13-7-8-16(28-2)15(11-13)21-18(24)9-10-22-19(25)14-5-3-4-6-17(14)29(22,26)27/h3-8,11H,9-10H2,1-2H3,(H,20,23)(H,21,24)

InChI Key

WZURLMTXBQKBDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07653013

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.44

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.425

Distribution Coefficient, logD

0.425

Water Solubility, LogSw

-2.36

Polar Surface Area

98.506

Acid Dissociation Constant (pKa)

11.59

Base Dissociation Constant (pKb)

0.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

G856-0176 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with G856-0176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-0176?
Check Price and Availability of G856-0176, 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 G856-0176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-0176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-0176
  • 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 G856-0176 available by request