G856-1356 Screening compound: 2-{[3-(2-methoxyethyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[4-(trifluoromethyl)phenyl]acetamide

G856-1356 Screening compound: 2-{[3-(2-methoxyethyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[4-(trifluoromethyl)phenyl]acetamide
G856-1356 Screening compound: 2-{[3-(2-methoxyethyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[4-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-1356
2-{[3-(2-methoxyethyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[4-(trifluoromethyl)phenyl]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

G856-1356

Molecular Formula

C22H19F3N4O3S (C22 H19 F3 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COCCN(C1=O)C(SCC(Nc2ccc(C(F)(F)F)cc2)=O)=Nc2c1[nH]c1c2cccc1

InChI

InChI=1S/C22H19F3N4O3S/c1-32-11-10-29-20(31)19-18(15-4-2-3-5-16(15)27-19)28-21(29)33-12-17(30)26-14-8-6-13(7-9-14)22(23,24)25/h2-9,27H,10-12H2,1H3,(H,26,30)

InChI Key

XAFLQTHQUOOUJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05952291

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.680

Distribution Coefficient, logD

3.680

Water Solubility, LogSw

-4.11

Polar Surface Area

65.471

Acid Dissociation Constant (pKa)

12.90

Base Dissociation Constant (pKb)

-1.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

G856-1356 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with G856-1356 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-1356?
Check Price and Availability of G856-1356, 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 G856-1356 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-1356
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-1356
  • 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 G856-1356 available by request