G801-0050 Screening compound: N-[(2,5-dimethoxyphenyl)methyl]-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide

G801-0050 Screening compound: N-[(2,5-dimethoxyphenyl)methyl]-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide
G801-0050 Screening compound: N-[(2,5-dimethoxyphenyl)methyl]-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G801-0050
N-[(2,5-dimethoxyphenyl)methyl]-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-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

G801-0050

Molecular Formula

C16H17N3O5S (C16 H17 N3 O5 S)

Compound Name

N-[(2,5-dimethoxyphenyl)methyl]-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide

IUPAC name

N-[(25-dimethoxyphenyl)methyl]-2-oxo-23-dihydro-1H-13-benzodiazole-5-sulfonamide

SMILES

COc(cc1)cc(CNS(c(cc2)cc(N3)c2NC3=O)(=O)=O)c1OC

InChI

InChI=1S/C16H17N3O5S/c1-23-11-3-6-15(24-2)10(7-11)9-17-25(21,22)12-4-5-13-14(8-12)19-16(20)18-13/h3-8,17H,9H2,1-2H3,(H2,18,19,20)

InChI Key

SZPCSNUFFNJDQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09053671

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.075

Distribution Coefficient, logD

2.074

Water Solubility, LogSw

-2.95

Polar Surface Area

92.898

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

-1.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

G801-0050 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G801-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G801-0050?
Check Price and Availability of G801-0050, 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 G801-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G801-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G801-0050
  • 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 G801-0050 available by request