Y043-8539 Screening compound: 1-(3-chloro-4-methoxyphenyl)-4-{[4-(2-pyridyl)piperazino]carbonyl}-2-pyrrolidinone

Y043-8539 Screening compound: 1-(3-chloro-4-methoxyphenyl)-4-{[4-(2-pyridyl)piperazino]carbonyl}-2-pyrrolidinone
Y043-8539 Screening compound: 1-(3-chloro-4-methoxyphenyl)-4-{[4-(2-pyridyl)piperazino]carbonyl}-2-pyrrolidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-8539
1-(3-chloro-4-methoxyphenyl)-4-{[4-(2-pyridyl)piperazino]carbonyl}-2-pyrrolidinone

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

Y043-8539

Molecular Formula

C21H23ClN4O3 (C21 H23 ClN4 O3)

Compound Name

1-(3-chloro-4-methoxyphenyl)-4-{[4-(2-pyridyl)piperazino]carbonyl}-2-pyrrolidinone

IUPAC name

1-(3-chloro-4-methoxyphenyl)-4-[4-(pyridin-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one

SMILES

COc(ccc(N(CC(C1)C(N(CC2)CCN2c2ncccc2)=O)C1=O)c1)c1Cl

InChI

InChI=1S/C21H23ClN4O3/c1-29-18-6-5-16(13-17(18)22)26-14-15(12-20(26)27)21(28)25-10-8-24(9-11-25)19-4-2-3-7-23-19/h2-7,13,15H,8-12,14H2,1H3/t15-/m1/s1

InChI Key

ODIKZXVZJCYWSD-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD12208414

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.460

Distribution Coefficient, logD

2.451

Water Solubility, LogSw

-2.99

Polar Surface Area

53.039

Acid Dissociation Constant (pKa)

12.88

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

Y043-8539 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with Y043-8539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-8539?
Check Price and Availability of Y043-8539, 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 Y043-8539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-8539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-8539
  • 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 Y043-8539 available by request