7752-0546 Screening compound: 2-(1,4-dibenzyl-3-oxopiperazin-2-yl)-N-(3-methylphenyl)acetamide

7752-0546 Screening compound: 2-(1,4-dibenzyl-3-oxopiperazin-2-yl)-N-(3-methylphenyl)acetamide
7752-0546 Screening compound: 2-(1,4-dibenzyl-3-oxopiperazin-2-yl)-N-(3-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7752-0546
2-(1,4-dibenzyl-3-oxopiperazin-2-yl)-N-(3-methylphenyl)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

7752-0546

Molecular Formula

C27H29N3O2 (C27 H29 N3 O2)

Compound Name

2-(1,4-dibenzyl-3-oxopiperazin-2-yl)-N-(3-methylphenyl)acetamide

IUPAC name

2-(14-dibenzyl-3-oxopiperazin-2-yl)-N-(3-methylphenyl)acetamide

SMILES

Cc1cccc(NC(CC2N(Cc3ccccc3)CCN(Cc3ccccc3)C2=O)=O)c1

InChI

InChI=1S/C27H29N3O2/c1-21-9-8-14-24(17-21)28-26(31)18-25-27(32)30(20-23-12-6-3-7-13-23)16-15-29(25)19-22-10-4-2-5-11-22/h2-14,17,25H,15-16,18-20H2,1H3,(H,28,31)/t25-/m0/s1

InChI Key

ITUMAOHXAPOXQA-VWLOTQADSA-N

MDL Number (MFCD)

MFCD06595756

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.048

Distribution Coefficient, logD

4.047

Water Solubility, LogSw

-4.09

Polar Surface Area

42.911

Acid Dissociation Constant (pKa)

11.82

Base Dissociation Constant (pKb)

4.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

7752-0546 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

GPCR Targeted Library (31838 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
Targets:
  • GPCR
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 7752-0546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7752-0546?
Check Price and Availability of 7752-0546, 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 7752-0546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7752-0546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7752-0546
  • 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 7752-0546 available by request