G801-0158 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide

G801-0158 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide
G801-0158 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G801-0158
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1,3-dimethyl-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

G801-0158

Molecular Formula

C17H17N3O5S (C17 H17 N3 O5 S)

Compound Name

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

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-13-dimethyl-2-oxo-23-dihydro-1H-13-benzodiazole-5-sulfonamide

SMILES

CN(c(ccc(S(NCc(cc1)cc2c1OCO2)(=O)=O)c1)c1N1C)C1=O

InChI

InChI=1S/C17H17N3O5S/c1-19-13-5-4-12(8-14(13)20(2)17(19)21)26(22,23)18-9-11-3-6-15-16(7-11)25-10-24-15/h3-8,18H,9-10H2,1-2H3

InChI Key

QVCRBIDLJAKHPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10045185

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.320

Distribution Coefficient, logD

2.319

Water Solubility, LogSw

-3.03

Polar Surface Area

76.797

Acid Dissociation Constant (pKa)

10.61

Base Dissociation Constant (pKb)

-2.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

G801-0158 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

Anticancer Library (62698 compounds)

Antimitotic Tubulin Library (17355 compounds)

Hsp90-Targeted Library (11355 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G801-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G801-0158?
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What is the minimum amount of G801-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G801-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G801-0158
  • 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 G801-0158 available by request