G856-0768 Screening compound: N-(4-ethylphenyl)-2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide

G856-0768 Screening compound: N-(4-ethylphenyl)-2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide
G856-0768 Screening compound: N-(4-ethylphenyl)-2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-0768
N-(4-ethylphenyl)-2-({3-methyl-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

G856-0768

Molecular Formula

C21H20N4O2S (C21 H20 N4 O2 S)

Compound Name

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

IUPAC name

N-(4-ethylphenyl)-2-({3-methyl-4-oxo-3H4H5H-pyrimido[54-b]indol-2-yl}sulfanyl)acetamide

SMILES

CCc(cc1)ccc1NC(CSC(N(C)C1=O)=Nc2c1[nH]c1c2cccc1)=O

InChI

InChI=1S/C21H20N4O2S/c1-3-13-8-10-14(11-9-13)22-17(26)12-28-21-24-18-15-6-4-5-7-16(15)23-19(18)20(27)25(21)2/h4-11,23H,3,12H2,1-2H3,(H,22,26)

InChI Key

HGAOOYSQGHQWHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04458148

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.667

Distribution Coefficient, logD

3.667

Water Solubility, LogSw

-4.04

Polar Surface Area

56.916

Acid Dissociation Constant (pKa)

12.90

Base Dissociation Constant (pKb)

-0.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

G856-0768 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

BRD4 Targeted Library (4534 compounds)

Cysteine Proteases Inhibitors Library (7839 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
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Others
  • Proteases

References: we are preparing a list of scientific research reports with G856-0768 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-0768?
Check Price and Availability of G856-0768, 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 G856-0768 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-0768
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-0768
  • 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 G856-0768 available by request