Y041-0289 Screening compound: 1-(4-phenylpiperazin-1-yl)-4-[4-(pyridin-2-yl)piperazin-1-yl]butane-1,4-dione

Y041-0289 Screening compound: 1-(4-phenylpiperazin-1-yl)-4-[4-(pyridin-2-yl)piperazin-1-yl]butane-1,4-dione
Y041-0289 Screening compound: 1-(4-phenylpiperazin-1-yl)-4-[4-(pyridin-2-yl)piperazin-1-yl]butane-1,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-0289
1-(4-phenylpiperazin-1-yl)-4-[4-(pyridin-2-yl)piperazin-1-yl]butane-1,4-dione

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

Y041-0289

Molecular Formula

C23H29N5O2 (C23 H29 N5 O2)

Compound Name

1-(4-phenylpiperazin-1-yl)-4-[4-(pyridin-2-yl)piperazin-1-yl]butane-1,4-dione

IUPAC name

1-(4-phenylpiperazin-1-yl)-4-[4-(pyridin-2-yl)piperazin-1-yl]butane-14-dione

SMILES

O=C(CCC(N(CC1)CCN1c1ncccc1)=O)N(CC1)CCN1c1ccccc1

InChI

InChI=1S/C23H29N5O2/c29-22(27-16-12-25(13-17-27)20-6-2-1-3-7-20)9-10-23(30)28-18-14-26(15-19-28)21-8-4-5-11-24-21/h1-8,11H,9-10,12-19H2

InChI Key

OCUQFVYVZAFRPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04344404

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.843

Distribution Coefficient, logD

1.834

Water Solubility, LogSw

-1.75

Polar Surface Area

47.784

Acid Dissociation Constant (pKa)

24.02

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

Y041-0289 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Immune system

References: we are preparing a list of scientific research reports with Y041-0289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-0289?
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What is the minimum amount of Y041-0289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-0289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-0289
  • 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 Y041-0289 available by request