D718-1193 Screening compound: 2-{1-[2-(4-methylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl}-N-[3-(trifluoromethyl)phenyl]acetamide

D718-1193 Screening compound: 2-{1-[2-(4-methylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl}-N-[3-(trifluoromethyl)phenyl]acetamide
D718-1193 Screening compound: 2-{1-[2-(4-methylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl}-N-[3-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D718-1193
2-{1-[2-(4-methylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl}-N-[3-(trifluoromethyl)phenyl]acetamide

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

D718-1193

Molecular Formula

C20H26F3N5O3 (C20 H26 F3 N5 O3)

Compound Name

2-{1-[2-(4-methylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl}-N-[3-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-{1-[2-(4-methylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl}-N-[3-(trifluoromethyl)phenyl]acetamide

SMILES

CN1CCN(CC(N(CCN2)C(CC(Nc3cccc(C(F)(F)F)c3)=O)C2=O)=O)CC1

InChI

InChI=1S/C20H26F3N5O3/c1-26-7-9-27(10-8-26)13-18(30)28-6-5-24-19(31)16(28)12-17(29)25-15-4-2-3-14(11-15)20(21,22)23/h2-4,11,16H,5-10,12-13H2,1H3,(H,24,31)(H,25,29)/t16-/m0/s1

InChI Key

QSRBJBZERNMCMB-INIZCTEOSA-N

MDL Number (MFCD)

MFCD10479496

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.414

Distribution Coefficient, logD

-0.254

Water Solubility, LogSw

-2.11

Polar Surface Area

71.268

Acid Dissociation Constant (pKa)

9.78

Base Dissociation Constant (pKb)

7.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.00

D718-1193 in Drug Discovery

Included in Screening Libraries

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with D718-1193 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D718-1193?
Check Price and Availability of D718-1193, 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 D718-1193 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D718-1193
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D718-1193
  • 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 D718-1193 available by request