Y043-6720 Screening compound: N-{(1S)-2-[(3-fluorobenzyl)amino]-1-methyl-2-oxoethyl}-4-phenyltetrahydro-1(2H)-pyrazinecarboxamide

Y043-6720 Screening compound: N-{(1S)-2-[(3-fluorobenzyl)amino]-1-methyl-2-oxoethyl}-4-phenyltetrahydro-1(2H)-pyrazinecarboxamide
Y043-6720 Screening compound: N-{(1S)-2-[(3-fluorobenzyl)amino]-1-methyl-2-oxoethyl}-4-phenyltetrahydro-1(2H)-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-6720
N-{(1S)-2-[(3-fluorobenzyl)amino]-1-methyl-2-oxoethyl}-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

Y043-6720

Molecular Formula

C21H25FN4O2 (C21 H25 FN4 O2)

Compound Name

N-{(1S)-2-[(3-fluorobenzyl)amino]-1-methyl-2-oxoethyl}-4-phenyltetrahydro-1(2H)-pyrazinecarboxamide

IUPAC name

(2S)-N-[(3-fluorophenyl)methyl]-2-[(4-phenylpiperazine-1-carbonyl)amino]propanamide

SMILES

CC(C(NCc1cccc(F)c1)=O)NC(N(CC1)CCN1c1ccccc1)=O

InChI

InChI=1S/C21H25FN4O2/c1-16(20(27)23-15-17-6-5-7-18(22)14-17)24-21(28)26-12-10-25(11-13-26)19-8-3-2-4-9-19/h2-9,14,16H,10-13,15H2,1H3,(H,23,27)(H,24,28)/t16-/m0/s1

InChI Key

IEIYCDPKOSVJTP-INIZCTEOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.592

Distribution Coefficient, logD

2.588

Water Solubility, LogSw

-2.94

Polar Surface Area

54.138

Acid Dissociation Constant (pKa)

13.29

Base Dissociation Constant (pKb)

7.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

Y043-6720 in Drug Discovery

Included in Screening Libraries

Ion Channels Focused Library (26372 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with Y043-6720 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-6720?
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What is the minimum amount of Y043-6720 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-6720
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-6720
  • 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 Y043-6720 available by request