D236-0023 Screening compound: 2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetic acid

D236-0023 Screening compound: 2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetic acid
D236-0023 Screening compound: 2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D236-0023
2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetic acid

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

D236-0023

Molecular Formula

C15H20N2O3 (C15 H20 N2 O3)

Compound Name

2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetic acid

IUPAC name

2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetic acid

SMILES

OC(CC1N(CCCc2ccccc2)CCNC1=O)=O

InChI

InChI=1S/C15H20N2O3/c18-14(19)11-13-15(20)16-8-10-17(13)9-4-7-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,16,20)(H,18,19)/t13-/m0/s1

InChI Key

DUANFASSZWBAOS-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD05666743

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.650

Distribution Coefficient, logD

-2.299

Water Solubility, LogSw

-1.48

Polar Surface Area

57.049

Acid Dissociation Constant (pKa)

3.69

Base Dissociation Constant (pKb)

7.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.70

D236-0023 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

CNS Targets (44014 compounds)

Dark Chemical Matter Library (18430 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Selective Target Activity Profiling Library (14702 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
  • 3D
  • Pool
Therapeutical areas:
  • Nervous system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with D236-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D236-0023?
Check Price and Availability of D236-0023, 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 D236-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D236-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D236-0023
  • 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 D236-0023 available by request