G811-0142 Screening compound: N,N-diethyl-4-[1-(4-fluorophenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carbonyl]aniline

G811-0142 Screening compound: N,N-diethyl-4-[1-(4-fluorophenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carbonyl]aniline
G811-0142 Screening compound: N,N-diethyl-4-[1-(4-fluorophenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carbonyl]aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound G811-0142
N,N-diethyl-4-[1-(4-fluorophenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carbonyl]aniline

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

G811-0142

Molecular Formula

C28H28FN3O (C28 H28 FN3 O)

Compound Name

N,N-diethyl-4-[1-(4-fluorophenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carbonyl]aniline

IUPAC name

NN-diethyl-4-[1-(4-fluorophenyl)-1H2H3H4H9H-pyrido[34-b]indole-2-carbonyl]aniline

SMILES

CCN(CC)c(cc1)ccc1C(N(CCc1c2[nH]c3c1cccc3)C2c(cc1)ccc1F)=O

InChI

InChI=1S/C28H28FN3O/c1-3-31(4-2)22-15-11-20(12-16-22)28(33)32-18-17-24-23-7-5-6-8-25(23)30-26(24)27(32)19-9-13-21(29)14-10-19/h5-16,27,30H,3-4,17-18H2,1-2H3/t27-/m1/s1

InChI Key

HDUFHTJUNHJPAA-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD15038295

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.55

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.916

Distribution Coefficient, logD

5.914

Water Solubility, LogSw

-5.90

Polar Surface Area

28.808

Acid Dissociation Constant (pKa)

18.36

Base Dissociation Constant (pKb)

8.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

G811-0142 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with G811-0142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G811-0142?
Check Price and Availability of G811-0142, 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 G811-0142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G811-0142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G811-0142
  • 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 G811-0142 available by request