G811-1256 Screening compound: 1-[1-(3-ethoxyphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl]-2-{[(4-fluorophenyl)methyl]sulfanyl}ethan-1-one

G811-1256 Screening compound: 1-[1-(3-ethoxyphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl]-2-{[(4-fluorophenyl)methyl]sulfanyl}ethan-1-one
G811-1256 Screening compound: 1-[1-(3-ethoxyphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl]-2-{[(4-fluorophenyl)methyl]sulfanyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G811-1256
1-[1-(3-ethoxyphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl]-2-{[(4-fluorophenyl)methyl]sulfanyl}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

G811-1256

Molecular Formula

C28H27FN2O2S (C28 H27 FN2 O2 S)

Compound Name

1-[1-(3-ethoxyphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl]-2-{[(4-fluorophenyl)methyl]sulfanyl}ethan-1-one

IUPAC name

1-[1-(3-ethoxyphenyl)-1H2H3H4H9H-pyrido[34-b]indol-2-yl]-2-{[(4-fluorophenyl)methyl]sulfanyl}ethan-1-one

SMILES

CCOc1cccc(C(c2c(CC3)c(cccc4)c4[nH]2)N3C(CSCc(cc2)ccc2F)=O)c1

InChI

InChI=1S/C28H27FN2O2S/c1-2-33-22-7-5-6-20(16-22)28-27-24(23-8-3-4-9-25(23)30-27)14-15-31(28)26(32)18-34-17-19-10-12-21(29)13-11-19/h3-13,16,28,30H,2,14-15,17-18H2,1H3/t28-/m1/s1

InChI Key

IZJKAWZOZCXRAP-MUUNZHRXSA-N

MDL Number (MFCD)

MFCD15038362

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.076

Distribution Coefficient, logD

6.076

Water Solubility, LogSw

-5.77

Polar Surface Area

32.668

Acid Dissociation Constant (pKa)

18.36

Base Dissociation Constant (pKb)

-3.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

G811-1256 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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 G811-1256 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G811-1256?
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What is the minimum amount of G811-1256 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G811-1256
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G811-1256
  • 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 G811-1256 available by request