G801-0134 Screening compound: 5-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one

G801-0134 Screening compound: 5-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
G801-0134 Screening compound: 5-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G801-0134
5-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one

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

G801-0134

Molecular Formula

C19H20N4O5S (C19 H20 N4 O5 S)

Compound Name

5-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one

IUPAC name

5-({4-[(2H-13-benzodioxol-5-yl)methyl]piperazin-1-yl}sulfonyl)-23-dihydro-1H-13-benzodiazol-2-one

SMILES

O=C1Nc(cc(cc2)S(N3CCN(Cc(cc4)cc5c4OCO5)CC3)(=O)=O)c2N1

InChI

InChI=1S/C19H20N4O5S/c24-19-20-15-3-2-14(10-16(15)21-19)29(25,26)23-7-5-22(6-8-23)11-13-1-4-17-18(9-13)28-12-27-17/h1-4,9-10H,5-8,11-12H2,(H2,20,21,24)

InChI Key

NMORVHROIQFKPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27160845

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.692

Distribution Coefficient, logD

1.595

Water Solubility, LogSw

-2.75

Polar Surface Area

88.332

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

6.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

G801-0134 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G801-0134 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G801-0134?
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What is the minimum amount of G801-0134 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G801-0134
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G801-0134
  • 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 G801-0134 available by request