7837-0223 Screening compound: methyl 2-{1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl}acetate

7837-0223 Screening compound: methyl 2-{1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl}acetate
7837-0223 Screening compound: methyl 2-{1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7837-0223
methyl 2-{1-[(4-ethoxyphenyl)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

7837-0223

Molecular Formula

C16H22N2O4 (C16 H22 N2 O4)

Compound Name

methyl 2-{1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl}acetate

IUPAC name

methyl 2-{1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl}acetate

SMILES

CCOc1ccc(CN(CCN2)C(CC(OC)=O)C2=O)cc1

InChI

InChI=1S/C16H22N2O4/c1-3-22-13-6-4-12(5-7-13)11-18-9-8-17-16(20)14(18)10-15(19)21-2/h4-7,14H,3,8-11H2,1-2H3,(H,17,20)/t14-/m0/s1

InChI Key

CTSPYXVEGKROAA-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD05666713

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.043

Distribution Coefficient, logD

1.040

Water Solubility, LogSw

-2.09

Polar Surface Area

56.389

Acid Dissociation Constant (pKa)

13.48

Base Dissociation Constant (pKb)

5.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

7837-0223 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

References: we are preparing a list of scientific research reports with 7837-0223 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7837-0223?
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What is the minimum amount of 7837-0223 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7837-0223
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7837-0223
  • 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 7837-0223 available by request