G810-0176 Screening compound: N-[(1-benzoyl-2,3-dihydro-1H-indol-5-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide

G810-0176 Screening compound: N-[(1-benzoyl-2,3-dihydro-1H-indol-5-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide
G810-0176 Screening compound: N-[(1-benzoyl-2,3-dihydro-1H-indol-5-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G810-0176
N-[(1-benzoyl-2,3-dihydro-1H-indol-5-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide

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

G810-0176

Molecular Formula

C22H18N4O3S2 (C22 H18 N4 O3 S2)

Compound Name

N-[(1-benzoyl-2,3-dihydro-1H-indol-5-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide

IUPAC name

N-[(1-benzoyl-23-dihydro-1H-indol-5-yl)methyl]-213-benzothiadiazole-4-sulfonamide

SMILES

O=C(c1ccccc1)N(CC1)c2c1cc(CNS(c1cccc3nsnc13)(=O)=O)cc2

InChI

InChI=1S/C22H18N4O3S2/c27-22(16-5-2-1-3-6-16)26-12-11-17-13-15(9-10-19(17)26)14-23-31(28,29)20-8-4-7-18-21(20)25-30-24-18/h1-10,13,23H,11-12,14H2

InChI Key

TZNKLDJFQMUWDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27162669

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.588

Distribution Coefficient, logD

3.566

Water Solubility, LogSw

-3.81

Polar Surface Area

78.628

Acid Dissociation Constant (pKa)

8.69

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

G810-0176 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with G810-0176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G810-0176?
Check Price and Availability of G810-0176, 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 G810-0176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G810-0176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G810-0176
  • 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 G810-0176 available by request