G909-0113 Screening compound: N-(3-chloro-2-methylphenyl)-4-{4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl}piperidine-1-carboxamide

G909-0113 Screening compound: N-(3-chloro-2-methylphenyl)-4-{4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl}piperidine-1-carboxamide
G909-0113 Screening compound: N-(3-chloro-2-methylphenyl)-4-{4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl}piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G909-0113
N-(3-chloro-2-methylphenyl)-4-{4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl}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

G909-0113

Molecular Formula

C25H29ClN4O3 (C25 H29 ClN4 O3)

Compound Name

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

IUPAC name

N-(3-chloro-2-methylphenyl)-4-{4-[(4-methylphenyl)methyl]-23-dioxopiperazin-1-yl}piperidine-1-carboxamide

SMILES

Cc1ccc(CN(CCN(C(CC2)CCN2C(Nc2cccc(Cl)c2C)=O)C2=O)C2=O)cc1

InChI

InChI=1S/C25H29ClN4O3/c1-17-6-8-19(9-7-17)16-29-14-15-30(24(32)23(29)31)20-10-12-28(13-11-20)25(33)27-22-5-3-4-21(26)18(22)2/h3-9,20H,10-16H2,1-2H3,(H,27,33)

InChI Key

OVARJPXQZISIBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27167803

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.98

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.166

Distribution Coefficient, logD

4.166

Water Solubility, LogSw

-4.24

Polar Surface Area

57.250

Acid Dissociation Constant (pKa)

11.91

Base Dissociation Constant (pKb)

1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

G909-0113 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 G909-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G909-0113?
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What is the minimum amount of G909-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G909-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G909-0113
  • 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 G909-0113 available by request