Y042-2291 Screening compound: 1-[3-(4-benzhydrylpiperazino)-3-oxopropyl]-4-hydroxy-6-methyl-2(1H)-pyridinone

Y042-2291 Screening compound: 1-[3-(4-benzhydrylpiperazino)-3-oxopropyl]-4-hydroxy-6-methyl-2(1H)-pyridinone
Y042-2291 Screening compound: 1-[3-(4-benzhydrylpiperazino)-3-oxopropyl]-4-hydroxy-6-methyl-2(1H)-pyridinone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-2291
1-[3-(4-benzhydrylpiperazino)-3-oxopropyl]-4-hydroxy-6-methyl-2(1H)-pyridinone

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

Y042-2291

Molecular Formula

C26H29N3O3 (C26 H29 N3 O3)

Compound Name

1-[3-(4-benzhydrylpiperazino)-3-oxopropyl]-4-hydroxy-6-methyl-2(1H)-pyridinone

IUPAC name

1-{3-[4-(diphenylmethyl)piperazin-1-yl]-3-oxopropyl}-4-hydroxy-6-methyl-12-dihydropyridin-2-one

SMILES

CC(N1CCC(N(CC2)CCN2C(c2ccccc2)c2ccccc2)=O)=CC(O)=CC1=O

InChI

InChI=1S/C26H29N3O3/c1-20-18-23(30)19-25(32)29(20)13-12-24(31)27-14-16-28(17-15-27)26(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-11,18-19,26,30H,12-17H2,1H3

InChI Key

HLBHJZUJODONMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29057022

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.730

Distribution Coefficient, logD

0.204

Water Solubility, LogSw

-2.75

Polar Surface Area

50.588

Acid Dissociation Constant (pKa)

4.88

Base Dissociation Constant (pKb)

5.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.77

Y042-2291 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with Y042-2291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-2291?
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What is the minimum amount of Y042-2291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-2291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-2291
  • 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 Y042-2291 available by request