4092-0165 Screening compound: 1-{[1,1'-biphenyl]-4-carbonyl}-4-(2,3-dimethoxybenzoyl)piperazine

4092-0165 Screening compound: 1-{[1,1'-biphenyl]-4-carbonyl}-4-(2,3-dimethoxybenzoyl)piperazine
4092-0165 Screening compound: 1-{[1,1'-biphenyl]-4-carbonyl}-4-(2,3-dimethoxybenzoyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4092-0165
1-{[1,1'-biphenyl]-4-carbonyl}-4-(2,3-dimethoxybenzoyl)piperazine

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

4092-0165

Molecular Formula

C26H26N2O4 (C26 H26 N2 O4)

Compound Name

1-{[1,1'-biphenyl]-4-carbonyl}-4-(2,3-dimethoxybenzoyl)piperazine

IUPAC name

1-{[11'-biphenyl]-4-carbonyl}-4-(23-dimethoxybenzoyl)piperazine

SMILES

COc1cccc(C(N(CC2)CCN2C(c(cc2)ccc2-c2ccccc2)=O)=O)c1OC

InChI

InChI=1S/C26H26N2O4/c1-31-23-10-6-9-22(24(23)32-2)26(30)28-17-15-27(16-18-28)25(29)21-13-11-20(12-14-21)19-7-4-3-5-8-19/h3-14H,15-18H2,1-2H3

InChI Key

ZGQSSFHSPCVRBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02211920

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.599

Distribution Coefficient, logD

3.599

Water Solubility, LogSw

-3.77

Polar Surface Area

48.419

Acid Dissociation Constant (pKa)

28.95

Base Dissociation Constant (pKb)

-4.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

4092-0165 in Drug Discovery

Included in Screening Libraries

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

CNS targets activity set (6557 compounds)

Proline Kinase Library (2105 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4092-0165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4092-0165?
Check Price and Availability of 4092-0165, 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 4092-0165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4092-0165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4092-0165
  • 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 4092-0165 available by request