4092-0398 Screening compound: 1-(2,3-DIMETHOXYBENZOYL)-4-[(3-PHENOXYPHENYL)METHYL]PIPERAZINE

4092-0398 Screening compound: 1-(2,3-DIMETHOXYBENZOYL)-4-[(3-PHENOXYPHENYL)METHYL]PIPERAZINE
4092-0398 Screening compound: 1-(2,3-DIMETHOXYBENZOYL)-4-[(3-PHENOXYPHENYL)METHYL]PIPERAZINE alternative view

Chemical Structure Depiction of ChemDiv screening compound 4092-0398
1-(2,3-DIMETHOXYBENZOYL)-4-[(3-PHENOXYPHENYL)METHYL]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

4092-0398

Molecular Formula

C26H28N2O4 (C26 H28 N2 O4)

Compound Name

1-(2,3-DIMETHOXYBENZOYL)-4-[(3-PHENOXYPHENYL)METHYL]PIPERAZINE

IUPAC name

n/a

SMILES

COc1cccc(C(N2CCN(Cc3cc(Oc4ccccc4)ccc3)CC2)=O)c1OC

InChI

InChI=1S/C26H28N2O4/c1-30-24-13-7-12-23(25(24)31-2)26(29)28-16-14-27(15-17-28)19-20-8-6-11-22(18-20)32-21-9-4-3-5-10-21/h3-13,18H,14-17,19H2,1-2H3

InChI Key

LBLIWINHBNQTFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02213096

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

432.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.084

Distribution Coefficient, logD

4.034

Water Solubility, LogSw

-4.31

Polar Surface Area

42.522

Acid Dissociation Constant (pKa)

28.54

Base Dissociation Constant (pKb)

6.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

4092-0398 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Targets:
  • Proteases
  • Ion Channels

References: we are preparing a list of scientific research reports with 4092-0398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4092-0398?
Check Price and Availability of 4092-0398, 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 4092-0398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4092-0398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4092-0398
  • 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 4092-0398 available by request