G909-0126 Screening compound: 4-{4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl}-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide

G909-0126 Screening compound: 4-{4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl}-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
G909-0126 Screening compound: 4-{4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl}-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G909-0126
4-{4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl}-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide

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

G909-0126

Molecular Formula

C25H27F3N4O3 (C25 H27 F3 N4 O3)

Compound Name

4-{4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl}-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide

IUPAC name

4-{4-[(4-methylphenyl)methyl]-23-dioxopiperazin-1-yl}-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide

SMILES

Cc1ccc(CN(CCN(C(CC2)CCN2C(Nc2cccc(C(F)(F)F)c2)=O)C2=O)C2=O)cc1

InChI

InChI=1S/C25H27F3N4O3/c1-17-5-7-18(8-6-17)16-31-13-14-32(23(34)22(31)33)21-9-11-30(12-10-21)24(35)29-20-4-2-3-19(15-20)25(26,27)28/h2-8,15,21H,9-14,16H2,1H3,(H,29,35)

InChI Key

CMKSINHSVWLRLK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27167812

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.006

Distribution Coefficient, logD

4.006

Water Solubility, LogSw

-4.07

Polar Surface Area

57.948

Acid Dissociation Constant (pKa)

11.62

Base Dissociation Constant (pKb)

-1.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

G909-0126 in Drug Discovery

Included in Screening Libraries

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

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G909-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G909-0126?
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What is the minimum amount of G909-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G909-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G909-0126
  • 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 G909-0126 available by request