Y044-5307 Screening compound: 4-benzyl-N~1~-[2-(4-methoxyanilino)-2-oxoethyl]tetrahydro-1(2H)-pyrazinecarboxamide

Y044-5307 Screening compound: 4-benzyl-N~1~-[2-(4-methoxyanilino)-2-oxoethyl]tetrahydro-1(2H)-pyrazinecarboxamide
Y044-5307 Screening compound: 4-benzyl-N~1~-[2-(4-methoxyanilino)-2-oxoethyl]tetrahydro-1(2H)-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y044-5307
4-benzyl-N~1~-[2-(4-methoxyanilino)-2-oxoethyl]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

Y044-5307

Molecular Formula

C21H26N4O3 (C21 H26 N4 O3)

Compound Name

4-benzyl-N~1~-[2-(4-methoxyanilino)-2-oxoethyl]tetrahydro-1(2H)-pyrazinecarboxamide

IUPAC name

2-[(4-benzylpiperazine-1-carbonyl)amino]-N-(4-methoxyphenyl)acetamide

SMILES

COc(cc1)ccc1NC(CNC(N1CCN(Cc2ccccc2)CC1)=O)=O

InChI

InChI=1S/C21H26N4O3/c1-28-19-9-7-18(8-10-19)23-20(26)15-22-21(27)25-13-11-24(12-14-25)16-17-5-3-2-4-6-17/h2-10H,11-16H2,1H3,(H,22,27)(H,23,26)

InChI Key

OSTBLMOCDURTLR-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.328

Distribution Coefficient, logD

1.806

Water Solubility, LogSw

-2.81

Polar Surface Area

61.263

Acid Dissociation Constant (pKa)

12.73

Base Dissociation Constant (pKb)

7.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

Y044-5307 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 Y044-5307 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y044-5307?
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What is the minimum amount of Y044-5307 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y044-5307
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y044-5307
  • 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 Y044-5307 available by request