Y044-5268 Screening compound: 4-(3-chlorophenyl)-N~1~-[2-oxo-2-(1-pyrrolidinyl)ethyl]tetrahydro-1(2H)-pyrazinecarboxamide

Y044-5268 Screening compound: 4-(3-chlorophenyl)-N~1~-[2-oxo-2-(1-pyrrolidinyl)ethyl]tetrahydro-1(2H)-pyrazinecarboxamide
Y044-5268 Screening compound: 4-(3-chlorophenyl)-N~1~-[2-oxo-2-(1-pyrrolidinyl)ethyl]tetrahydro-1(2H)-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y044-5268
4-(3-chlorophenyl)-N~1~-[2-oxo-2-(1-pyrrolidinyl)ethyl]tetrahydro-1(2H)-pyrazinecarboxamide

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

Y044-5268

Molecular Formula

C17H23ClN4O2 (C17 H23 ClN4 O2)

Compound Name

4-(3-chlorophenyl)-N~1~-[2-oxo-2-(1-pyrrolidinyl)ethyl]tetrahydro-1(2H)-pyrazinecarboxamide

IUPAC name

4-(3-chlorophenyl)-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazine-1-carboxamide

SMILES

O=C(CNC(N(CC1)CCN1c1cccc(Cl)c1)=O)N1CCCC1

InChI

InChI=1S/C17H23ClN4O2/c18-14-4-3-5-15(12-14)20-8-10-22(11-9-20)17(24)19-13-16(23)21-6-1-2-7-21/h3-5,12H,1-2,6-11,13H2,(H,19,24)

InChI Key

SZOGSFUUARZLLC-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.85

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.010

Distribution Coefficient, logD

2.009

Water Solubility, LogSw

-2.88

Polar Surface Area

47.048

Acid Dissociation Constant (pKa)

14.60

Base Dissociation Constant (pKb)

6.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.94

Y044-5268 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with Y044-5268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y044-5268?
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What is the minimum amount of Y044-5268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y044-5268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y044-5268
  • 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 Y044-5268 available by request