8396-0127 Screening compound: 3-phenylpropyl 2-[1-(4-butoxybenzoyl)-3-oxopiperazin-2-yl]acetate

8396-0127 Screening compound: 3-phenylpropyl 2-[1-(4-butoxybenzoyl)-3-oxopiperazin-2-yl]acetate
8396-0127 Screening compound: 3-phenylpropyl 2-[1-(4-butoxybenzoyl)-3-oxopiperazin-2-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8396-0127
3-phenylpropyl 2-[1-(4-butoxybenzoyl)-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

8396-0127

Molecular Formula

C26H32N2O5 (C26 H32 N2 O5)

Compound Name

3-phenylpropyl 2-[1-(4-butoxybenzoyl)-3-oxopiperazin-2-yl]acetate

IUPAC name

3-phenylpropyl 2-[1-(4-butoxybenzoyl)-3-oxopiperazin-2-yl]acetate

SMILES

CCCCOc(cc1)ccc1C(N(CCN1)C(CC(OCCCc2ccccc2)=O)C1=O)=O

InChI

InChI=1S/C26H32N2O5/c1-2-3-17-32-22-13-11-21(12-14-22)26(31)28-16-15-27-25(30)23(28)19-24(29)33-18-7-10-20-8-5-4-6-9-20/h4-6,8-9,11-14,23H,2-3,7,10,15-19H2,1H3,(H,27,30)/t23-/m0/s1

InChI Key

SUERVNDTLIQRQX-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD07128090

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.294

Distribution Coefficient, logD

4.294

Water Solubility, LogSw

-4.08

Polar Surface Area

69.036

Acid Dissociation Constant (pKa)

14.99

Base Dissociation Constant (pKb)

-2.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.30

8396-0127 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8396-0127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8396-0127?
Check Price and Availability of 8396-0127, 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 8396-0127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8396-0127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8396-0127
  • 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 8396-0127 available by request