Y044-5541 Screening compound: N~1~-[(1S)-1-methyl-2-oxo-2-(4-pyridylamino)ethyl]-4-phenyltetrahydro-1(2H)-pyrazinecarboxamide

Y044-5541 Screening compound: N~1~-[(1S)-1-methyl-2-oxo-2-(4-pyridylamino)ethyl]-4-phenyltetrahydro-1(2H)-pyrazinecarboxamide
Y044-5541 Screening compound: N~1~-[(1S)-1-methyl-2-oxo-2-(4-pyridylamino)ethyl]-4-phenyltetrahydro-1(2H)-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y044-5541
N~1~-[(1S)-1-methyl-2-oxo-2-(4-pyridylamino)ethyl]-4-phenyltetrahydro-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

Y044-5541

Molecular Formula

C19H23N5O2 (C19 H23 N5 O2)

Compound Name

N~1~-[(1S)-1-methyl-2-oxo-2-(4-pyridylamino)ethyl]-4-phenyltetrahydro-1(2H)-pyrazinecarboxamide

IUPAC name

(2S)-2-[(4-phenylpiperazine-1-carbonyl)amino]-N-(pyridin-4-yl)propanamide

SMILES

CC(C(Nc1ccncc1)=O)NC(N(CC1)CCN1c1ccccc1)=O

InChI

InChI=1S/C19H23N5O2/c1-15(18(25)22-16-7-9-20-10-8-16)21-19(26)24-13-11-23(12-14-24)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H,21,26)(H,20,22,25)/t15-/m0/s1

InChI Key

JUODHMCERWOAFR-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.786

Distribution Coefficient, logD

1.711

Water Solubility, LogSw

-1.75

Polar Surface Area

62.244

Acid Dissociation Constant (pKa)

11.26

Base Dissociation Constant (pKb)

6.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.58

Y044-5541 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 Y044-5541 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y044-5541?
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What is the minimum amount of Y044-5541 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y044-5541
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y044-5541
  • 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 Y044-5541 available by request