G428-0482 Screening compound: ethyl 2-({2-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)sulfonyl]acetyl}amino)benzoate

G428-0482 Screening compound: ethyl 2-({2-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)sulfonyl]acetyl}amino)benzoate
G428-0482 Screening compound: ethyl 2-({2-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)sulfonyl]acetyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G428-0482
ethyl 2-({2-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)sulfonyl]acetyl}amino)benzoate

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

G428-0482

Molecular Formula

C18H17N3O7S2 (C18 H17 N3 O7 S2)

Compound Name

ethyl 2-({2-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)sulfonyl]acetyl}amino)benzoate

IUPAC name

ethyl 2-{2-[(11-dioxo-4H-1lambda624-benzothiadiazin-7-yl)sulfonyl]acetamido}benzoate

SMILES

CCOC(c(cccc1)c1NC(CS(c(cc1)cc2c1NC=NS2(=O)=O)(=O)=O)=O)=O

InChI

InChI=1S/C18H17N3O7S2/c1-2-28-18(23)13-5-3-4-6-14(13)21-17(22)10-29(24,25)12-7-8-15-16(9-12)30(26,27)20-11-19-15/h3-9,11H,2,10H2,1H3,(H,19,20)(H,21,22)

InChI Key

XNOPQZMGATTWAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09980736

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.48

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.493

Distribution Coefficient, logD

1.457

Water Solubility, LogSw

-2.62

Polar Surface Area

125.293

Acid Dissociation Constant (pKa)

8.46

Base Dissociation Constant (pKb)

0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

G428-0482 in Drug Discovery

Included in Screening Libraries

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 G428-0482 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G428-0482?
Check Price and Availability of G428-0482, 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 G428-0482 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G428-0482
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G428-0482
  • 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 G428-0482 available by request