Y043-6578 Screening compound: N-{2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl}-4-phenyltetrahydro-1(2H)-pyrazinecarboxamide

Y043-6578 Screening compound: N-{2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl}-4-phenyltetrahydro-1(2H)-pyrazinecarboxamide
Y043-6578 Screening compound: N-{2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl}-4-phenyltetrahydro-1(2H)-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-6578
N-{2-oxo-2-[3-(trifluoromethoxy)anilino]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

Y043-6578

Molecular Formula

C20H21F3N4O3 (C20 H21 F3 N4 O3)

Compound Name

N-{2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl}-4-phenyltetrahydro-1(2H)-pyrazinecarboxamide

IUPAC name

2-[(4-phenylpiperazine-1-carbonyl)amino]-N-[3-(trifluoromethoxy)phenyl]acetamide

SMILES

O=C(CNC(N(CC1)CCN1c1ccccc1)=O)Nc1cccc(OC(F)(F)F)c1

InChI

InChI=1S/C20H21F3N4O3/c21-20(22,23)30-17-8-4-5-15(13-17)25-18(28)14-24-19(29)27-11-9-26(10-12-27)16-6-2-1-3-7-16/h1-8,13H,9-12,14H2,(H,24,29)(H,25,28)

InChI Key

ZOZFXWRDSMEKBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20537049

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.855

Distribution Coefficient, logD

3.851

Water Solubility, LogSw

-4.14

Polar Surface Area

59.376

Acid Dissociation Constant (pKa)

12.08

Base Dissociation Constant (pKb)

7.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

Y043-6578 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 Y043-6578 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-6578?
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What is the minimum amount of Y043-6578 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-6578
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-6578
  • 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 Y043-6578 available by request