7837-0222 Screening compound: propyl 2-{1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl}acetate

7837-0222 Screening compound: propyl 2-{1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl}acetate
7837-0222 Screening compound: propyl 2-{1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7837-0222
propyl 2-{1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl}acetate

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

7837-0222

Molecular Formula

C17H24N2O3 (C17 H24 N2 O3)

Compound Name

propyl 2-{1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl}acetate

IUPAC name

propyl 2-{1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl}acetate

SMILES

CCCOC(CC1N(Cc2c(C)cccc2)CCNC1=O)=O

InChI

InChI=1S/C17H24N2O3/c1-3-10-22-16(20)11-15-17(21)18-8-9-19(15)12-14-7-5-4-6-13(14)2/h4-7,15H,3,8-12H2,1-2H3,(H,18,21)/t15-/m0/s1

InChI Key

UJEKQSKQOMSQFY-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD05666712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.332

Distribution Coefficient, logD

2.328

Water Solubility, LogSw

-2.62

Polar Surface Area

49.140

Acid Dissociation Constant (pKa)

13.48

Base Dissociation Constant (pKb)

5.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.90

7837-0222 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 7837-0222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7837-0222?
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What is the minimum amount of 7837-0222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7837-0222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7837-0222
  • 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 7837-0222 available by request