G856-0948 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[3-(3,5-dimethylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide

G856-0948 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[3-(3,5-dimethylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
G856-0948 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[3-(3,5-dimethylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-0948
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[3-(3,5-dimethylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide

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

G856-0948

Molecular Formula

C28H24N4O4S (C28 H24 N4 O4 S)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[3-(3,5-dimethylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-{[3-(35-dimethylphenyl)-4-oxo-3H4H5H-pyrimido[54-b]indol-2-yl]sulfanyl}acetamide

SMILES

Cc1cc(N(C2=O)C(SCC(Nc(cc3)cc4c3OCCO4)=O)=Nc3c2[nH]c2c3cccc2)cc(C)c1

InChI

InChI=1S/C28H24N4O4S/c1-16-11-17(2)13-19(12-16)32-27(34)26-25(20-5-3-4-6-21(20)30-26)31-28(32)37-15-24(33)29-18-7-8-22-23(14-18)36-10-9-35-22/h3-8,11-14,30H,9-10,15H2,1-2H3,(H,29,33)

InChI Key

WRDLNEUMLBNKCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04992102

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.056

Distribution Coefficient, logD

4.056

Water Solubility, LogSw

-4.16

Polar Surface Area

72.090

Acid Dissociation Constant (pKa)

11.81

Base Dissociation Constant (pKb)

1.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

G856-0948 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G856-0948 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-0948?
Check Price and Availability of G856-0948, 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 G856-0948 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-0948
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-0948
  • 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 G856-0948 available by request