G801-0138 Screening compound: ethyl 3-(2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamido)benzoate

G801-0138 Screening compound: ethyl 3-(2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamido)benzoate
G801-0138 Screening compound: ethyl 3-(2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G801-0138
ethyl 3-(2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamido)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

G801-0138

Molecular Formula

C16H15N3O5S (C16 H15 N3 O5 S)

Compound Name

ethyl 3-(2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamido)benzoate

IUPAC name

ethyl 3-(2-oxo-23-dihydro-1H-13-benzodiazole-5-sulfonamido)benzoate

SMILES

CCOC(c1cccc(NS(c(cc2)cc(N3)c2NC3=O)(=O)=O)c1)=O

InChI

InChI=1S/C16H15N3O5S/c1-2-24-15(20)10-4-3-5-11(8-10)19-25(22,23)12-6-7-13-14(9-12)18-16(21)17-13/h3-9,19H,2H2,1H3,(H2,17,18,21)

InChI Key

ADPNEVLTYXGHGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27160846

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.38

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

2.750

Distribution Coefficient, logD

2.737

Water Solubility, LogSw

-3.30

Polar Surface Area

97.369

Acid Dissociation Constant (pKa)

8.93

Base Dissociation Constant (pKb)

-1.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

G801-0138 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with G801-0138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G801-0138?
Check Price and Availability of G801-0138, 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 G801-0138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G801-0138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G801-0138
  • 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 G801-0138 available by request