Y044-5234 Screening compound: 4-(2-pyridyl)-N~1~-(4-{[(2-pyridylmethyl)amino]carbonyl}phenyl)tetrahydro-1(2H)-pyrazinecarboxamide

Y044-5234 Screening compound: 4-(2-pyridyl)-N~1~-(4-{[(2-pyridylmethyl)amino]carbonyl}phenyl)tetrahydro-1(2H)-pyrazinecarboxamide
Y044-5234 Screening compound: 4-(2-pyridyl)-N~1~-(4-{[(2-pyridylmethyl)amino]carbonyl}phenyl)tetrahydro-1(2H)-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y044-5234
4-(2-pyridyl)-N~1~-(4-{[(2-pyridylmethyl)amino]carbonyl}phenyl)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

Y044-5234

Molecular Formula

C23H24N6O2 (C23 H24 N6 O2)

Compound Name

4-(2-pyridyl)-N~1~-(4-{[(2-pyridylmethyl)amino]carbonyl}phenyl)tetrahydro-1(2H)-pyrazinecarboxamide

IUPAC name

4-(pyridin-2-yl)-N-(4-{[(pyridin-2-yl)methyl]carbamoyl}phenyl)piperazine-1-carboxamide

SMILES

O=C(c(cc1)ccc1NC(N(CC1)CCN1c1ncccc1)=O)NCc1ncccc1

InChI

InChI=1S/C23H24N6O2/c30-22(26-17-20-5-1-3-11-24-20)18-7-9-19(10-8-18)27-23(31)29-15-13-28(14-16-29)21-6-2-4-12-25-21/h1-12H,13-17H2,(H,26,30)(H,27,31)

InChI Key

KFKJTVGTFAXQGD-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.352

Distribution Coefficient, logD

2.343

Water Solubility, LogSw

-2.85

Polar Surface Area

71.436

Acid Dissociation Constant (pKa)

11.30

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.74

Y044-5234 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

Anti-infective Library (19449 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y044-5234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y044-5234?
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What is the minimum amount of Y044-5234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y044-5234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y044-5234
  • 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 Y044-5234 available by request