G856-0836 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-({4-oxo-3-phenyl-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide

G856-0836 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-({4-oxo-3-phenyl-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide
G856-0836 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-({4-oxo-3-phenyl-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-0836
N-(2H-1,3-benzodioxol-5-yl)-2-({4-oxo-3-phenyl-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

G856-0836

Molecular Formula

C25H18N4O4S (C25 H18 N4 O4 S)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-2-({4-oxo-3-phenyl-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-({4-oxo-3-phenyl-3H4H5H-pyrimido[54-b]indol-2-yl}sulfanyl)acetamide

SMILES

O=C(CSC(N(c1ccccc1)C1=O)=Nc2c1[nH]c1c2cccc1)Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C25H18N4O4S/c30-21(26-15-10-11-19-20(12-15)33-14-32-19)13-34-25-28-22-17-8-4-5-9-18(17)27-23(22)24(31)29(25)16-6-2-1-3-7-16/h1-12,27H,13-14H2,(H,26,30)

InChI Key

OGYKHVNLTNLWAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04458217

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.51

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

3.759

Distribution Coefficient, logD

3.759

Water Solubility, LogSw

-4.36

Polar Surface Area

73.383

Acid Dissociation Constant (pKa)

11.81

Base Dissociation Constant (pKb)

1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

G856-0836 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

CNS Targets (44014 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

DGK Inhibitors Library (10558 compounds)

Human Receptors Annotated Library (5376 compounds)

Targeted Diversity Library (40567 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Nervous system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Proteases
  • Kinases

References: we are preparing a list of scientific research reports with G856-0836 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-0836?
Check Price and Availability of G856-0836, 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 G856-0836 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-0836
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-0836
  • 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 G856-0836 available by request