G428-0531 Screening compound: ethyl 1-{2-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)sulfonyl]acetyl}-3-piperidinecarboxylate

G428-0531 Screening compound: ethyl 1-{2-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)sulfonyl]acetyl}-3-piperidinecarboxylate
G428-0531 Screening compound: ethyl 1-{2-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)sulfonyl]acetyl}-3-piperidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G428-0531
ethyl 1-{2-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)sulfonyl]acetyl}-3-piperidinecarboxylate

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

G428-0531

Molecular Formula

C17H21N3O7S2 (C17 H21 N3 O7 S2)

Compound Name

ethyl 1-{2-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)sulfonyl]acetyl}-3-piperidinecarboxylate

IUPAC name

ethyl 1-{2-[(11-dioxo-4H-1lambda624-benzothiadiazin-7-yl)sulfonyl]acetyl}piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1C(CS(c(cc1)cc2c1NC=NS2(=O)=O)(=O)=O)=O)=O

InChI

InChI=1S/C17H21N3O7S2/c1-2-27-17(22)12-4-3-7-20(9-12)16(21)10-28(23,24)13-5-6-14-15(8-13)29(25,26)19-11-18-14/h5-6,8,11-12H,2-4,7,9-10H2,1H3,(H,18,19)/t12-/m0/s1

InChI Key

BJUABQXDERMEPA-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD09980852

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.5

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.417

Distribution Coefficient, logD

0.383

Water Solubility, LogSw

-2.46

Polar Surface Area

119.168

Acid Dissociation Constant (pKa)

8.49

Base Dissociation Constant (pKb)

0.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.10

G428-0531 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G428-0531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G428-0531?
Check Price and Availability of G428-0531, 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 G428-0531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G428-0531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G428-0531
  • 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 G428-0531 available by request