G811-0522 Screening compound: 3-cyclopentyl-1-{1-[4-(methylsulfanyl)phenyl]-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl}propan-1-one

G811-0522 Screening compound: 3-cyclopentyl-1-{1-[4-(methylsulfanyl)phenyl]-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl}propan-1-one
G811-0522 Screening compound: 3-cyclopentyl-1-{1-[4-(methylsulfanyl)phenyl]-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl}propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G811-0522
3-cyclopentyl-1-{1-[4-(methylsulfanyl)phenyl]-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl}propan-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

G811-0522

Molecular Formula

C26H30N2OS (C26 H30 N2 OS)

Compound Name

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

IUPAC name

3-cyclopentyl-1-{1-[4-(methylsulfanyl)phenyl]-1H2H3H4H9H-pyrido[34-b]indol-2-yl}propan-1-one

SMILES

CSc1ccc(C(c2c(CC3)c(cccc4)c4[nH]2)N3C(CCC2CCCC2)=O)cc1

InChI

InChI=1S/C26H30N2OS/c1-30-20-13-11-19(12-14-20)26-25-22(21-8-4-5-9-23(21)27-25)16-17-28(26)24(29)15-10-18-6-2-3-7-18/h4-5,8-9,11-14,18,26-27H,2-3,6-7,10,15-17H2,1H3/t26-/m1/s1

InChI Key

AKUUDINQUINVAS-AREMUKBSSA-N

MDL Number (MFCD)

MFCD15038320

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.6

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.302

Distribution Coefficient, logD

6.302

Water Solubility, LogSw

-5.84

Polar Surface Area

26.102

Acid Dissociation Constant (pKa)

18.36

Base Dissociation Constant (pKb)

-3.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.30

G811-0522 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

CNS targets activity set (6557 compounds)

DGK Inhibitors Library (10558 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Kinases Annotated Library (2415 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Selective Target Activity Profiling Library (14702 compounds)

SmartTM Library (51161 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
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G811-0522 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G811-0522?
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What is the minimum amount of G811-0522 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G811-0522
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G811-0522
  • 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 G811-0522 available by request