4674-0929 Screening compound: ethyl 2-benzyl-3-(4-methylpiperazino)-3-oxopropanoate

4674-0929 Screening compound: ethyl 2-benzyl-3-(4-methylpiperazino)-3-oxopropanoate
4674-0929 Screening compound: ethyl 2-benzyl-3-(4-methylpiperazino)-3-oxopropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4674-0929
ethyl 2-benzyl-3-(4-methylpiperazino)-3-oxopropanoate

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

4674-0929

Molecular Formula

C17H24N2O3 (C17 H24 N2 O3)

Compound Name

ethyl 2-benzyl-3-(4-methylpiperazino)-3-oxopropanoate

IUPAC name

ethyl 2-benzyl-3-(4-methylpiperazin-1-yl)-3-oxopropanoate

SMILES

CCOC(C(Cc1ccccc1)C(N1CCN(C)CC1)=O)=O

InChI

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

InChI Key

XMFFICBWQMNYFP-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD02757248

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.894

Distribution Coefficient, logD

1.573

Water Solubility, LogSw

-2.10

Polar Surface Area

41.117

Acid Dissociation Constant (pKa)

13.93

Base Dissociation Constant (pKb)

7.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.94

4674-0929 in Drug Discovery

Included in Screening Libraries

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 4674-0929 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4674-0929?
Check Price and Availability of 4674-0929, 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 4674-0929 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4674-0929
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4674-0929
  • 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 4674-0929 available by request