G885-0029 Screening compound: 4-{[4-(pyridin-4-yl)piperidin-1-yl]sulfonyl}-2,1,3-benzothiadiazole

G885-0029 Screening compound: 4-{[4-(pyridin-4-yl)piperidin-1-yl]sulfonyl}-2,1,3-benzothiadiazole
G885-0029 Screening compound: 4-{[4-(pyridin-4-yl)piperidin-1-yl]sulfonyl}-2,1,3-benzothiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound G885-0029
4-{[4-(pyridin-4-yl)piperidin-1-yl]sulfonyl}-2,1,3-benzothiadiazole

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

G885-0029

Molecular Formula

C16H16N4O2S2 (C16 H16 N4 O2 S2)

Compound Name

4-{[4-(pyridin-4-yl)piperidin-1-yl]sulfonyl}-2,1,3-benzothiadiazole

IUPAC name

4-{[4-(pyridin-4-yl)piperidin-1-yl]sulfonyl}-213-benzothiadiazole

SMILES

O=S(c1cccc2nsnc12)(N(CC1)CCC1c1ccncc1)=O

InChI

InChI=1S/C16H16N4O2S2/c21-24(22,15-3-1-2-14-16(15)19-23-18-14)20-10-6-13(7-11-20)12-4-8-17-9-5-12/h1-5,8-9,13H,6-7,10-11H2

InChI Key

PWZVFPVWEZHUTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15072686

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.917

Distribution Coefficient, logD

2.870

Water Solubility, LogSw

-2.93

Polar Surface Area

62.059

Acid Dissociation Constant (pKa)

25.62

Base Dissociation Constant (pKb)

6.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

G885-0029 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic

References: we are preparing a list of scientific research reports with G885-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G885-0029?
Check Price and Availability of G885-0029, 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 G885-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G885-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G885-0029
  • 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 G885-0029 available by request