G811-1218 Screening compound: 1-[1-(3-ethoxyphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl]-2-(phenylsulfanyl)ethan-1-one

G811-1218 Screening compound: 1-[1-(3-ethoxyphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl]-2-(phenylsulfanyl)ethan-1-one
G811-1218 Screening compound: 1-[1-(3-ethoxyphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl]-2-(phenylsulfanyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G811-1218
1-[1-(3-ethoxyphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl]-2-(phenylsulfanyl)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

G811-1218

Molecular Formula

C27H26N2O2S (C27 H26 N2 O2 S)

Compound Name

1-[1-(3-ethoxyphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl]-2-(phenylsulfanyl)ethan-1-one

IUPAC name

1-[1-(3-ethoxyphenyl)-1H2H3H4H9H-pyrido[34-b]indol-2-yl]-2-(phenylsulfanyl)ethan-1-one

SMILES

CCOc1cccc(C(c2c(CC3)c(cccc4)c4[nH]2)N3C(CSc2ccccc2)=O)c1

InChI

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

InChI Key

LDZVXFYNARFXGB-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD15038361

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

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.812

Distribution Coefficient, logD

5.812

Water Solubility, LogSw

-5.77

Polar Surface Area

32.668

Acid Dissociation Constant (pKa)

18.36

Base Dissociation Constant (pKb)

-2.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

G811-1218 in Drug Discovery

Included in Screening Libraries

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

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G811-1218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G811-1218?
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What is the minimum amount of G811-1218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G811-1218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G811-1218
  • 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 G811-1218 available by request