G811-0534 Screening compound: 2-(4-methoxyphenyl)-1-{1-[4-(methylsulfanyl)phenyl]-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl}ethan-1-one

G811-0534 Screening compound: 2-(4-methoxyphenyl)-1-{1-[4-(methylsulfanyl)phenyl]-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl}ethan-1-one
G811-0534 Screening compound: 2-(4-methoxyphenyl)-1-{1-[4-(methylsulfanyl)phenyl]-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G811-0534
2-(4-methoxyphenyl)-1-{1-[4-(methylsulfanyl)phenyl]-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl}ethan-1-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

G811-0534

Molecular Formula

C27H26N2O2S (C27 H26 N2 O2 S)

Compound Name

2-(4-methoxyphenyl)-1-{1-[4-(methylsulfanyl)phenyl]-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl}ethan-1-one

IUPAC name

2-(4-methoxyphenyl)-1-{1-[4-(methylsulfanyl)phenyl]-1H2H3H4H9H-pyrido[34-b]indol-2-yl}ethan-1-one

SMILES

COc1ccc(CC(N(CCc2c3[nH]c4c2cccc4)C3c(cc2)ccc2SC)=O)cc1

InChI

InChI=1S/C27H26N2O2S/c1-31-20-11-7-18(8-12-20)17-25(30)29-16-15-23-22-5-3-4-6-24(22)28-26(23)27(29)19-9-13-21(32-2)14-10-19/h3-14,27-28H,15-17H2,1-2H3/t27-/m1/s1

InChI Key

ASTBLZXUQURXOF-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD15038327

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.58

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.861

Distribution Coefficient, logD

5.861

Water Solubility, LogSw

-5.85

Polar Surface Area

33.088

Acid Dissociation Constant (pKa)

17.36

Base Dissociation Constant (pKb)

-3.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

G811-0534 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

DGK Inhibitors Library (10558 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G811-0534 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G811-0534?
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What is the minimum amount of G811-0534 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G811-0534
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G811-0534
  • 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 G811-0534 available by request