G801-0277 Screening compound: 5-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}sulfonyl)-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one

G801-0277 Screening compound: 5-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}sulfonyl)-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
G801-0277 Screening compound: 5-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}sulfonyl)-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G801-0277
5-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}sulfonyl)-1,3-dimethyl-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

G801-0277

Molecular Formula

C21H24N4O5S (C21 H24 N4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CN(c(ccc(S(N1CCN(Cc(cc2)cc3c2OCO3)CC1)(=O)=O)c1)c1N1C)C1=O

InChI

InChI=1S/C21H24N4O5S/c1-22-17-5-4-16(12-18(17)23(2)21(22)26)31(27,28)25-9-7-24(8-10-25)13-15-3-6-19-20(11-15)30-14-29-19/h3-6,11-12H,7-10,13-14H2,1-2H3

InChI Key

ZYLIDBUUTQKCLH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10045195

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.170

Distribution Coefficient, logD

2.074

Water Solubility, LogSw

-2.91

Polar Surface Area

70.290

Acid Dissociation Constant (pKa)

28.13

Base Dissociation Constant (pKb)

6.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

G801-0277 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Hsp90-Targeted Library (11355 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G801-0277 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G801-0277?
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What is the minimum amount of G801-0277 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G801-0277
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G801-0277
  • 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 G801-0277 available by request