Y043-6659 Screening compound: N-[(1S)-2-(2-fluoroanilino)-1-methyl-2-oxoethyl]-4-(4-fluorophenyl)tetrahydro-1(2H)-pyrazinecarboxamide

Y043-6659 Screening compound: N-[(1S)-2-(2-fluoroanilino)-1-methyl-2-oxoethyl]-4-(4-fluorophenyl)tetrahydro-1(2H)-pyrazinecarboxamide
Y043-6659 Screening compound: N-[(1S)-2-(2-fluoroanilino)-1-methyl-2-oxoethyl]-4-(4-fluorophenyl)tetrahydro-1(2H)-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-6659
N-[(1S)-2-(2-fluoroanilino)-1-methyl-2-oxoethyl]-4-(4-fluorophenyl)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

Y043-6659

Molecular Formula

C20H22F2N4O2 (C20 H22 F2 N4 O2)

Compound Name

N-[(1S)-2-(2-fluoroanilino)-1-methyl-2-oxoethyl]-4-(4-fluorophenyl)tetrahydro-1(2H)-pyrazinecarboxamide

IUPAC name

(2S)-N-(2-fluorophenyl)-2-{[4-(4-fluorophenyl)piperazine-1-carbonyl]amino}propanamide

SMILES

CC(C(Nc(cccc1)c1F)=O)NC(N(CC1)CCN1c(cc1)ccc1F)=O

InChI

InChI=1S/C20H22F2N4O2/c1-14(19(27)24-18-5-3-2-4-17(18)22)23-20(28)26-12-10-25(11-13-26)16-8-6-15(21)7-9-16/h2-9,14H,10-13H2,1H3,(H,23,28)(H,24,27)/t14-/m0/s1

InChI Key

QFNPLQRSIOGABP-AWEZNQCLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.195

Distribution Coefficient, logD

3.194

Water Solubility, LogSw

-3.43

Polar Surface Area

52.118

Acid Dissociation Constant (pKa)

10.92

Base Dissociation Constant (pKb)

7.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

Y043-6659 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y043-6659 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-6659?
Check Price and Availability of Y043-6659, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y043-6659 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-6659
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-6659
  • 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 Y043-6659 available by request