Y043-6727 Screening compound: N-[(1S)-2-(4-hydroxyanilino)-1-methyl-2-oxoethyl]-4-phenyltetrahydro-1(2H)-pyrazinecarboxamide

Y043-6727 Screening compound: N-[(1S)-2-(4-hydroxyanilino)-1-methyl-2-oxoethyl]-4-phenyltetrahydro-1(2H)-pyrazinecarboxamide
Y043-6727 Screening compound: N-[(1S)-2-(4-hydroxyanilino)-1-methyl-2-oxoethyl]-4-phenyltetrahydro-1(2H)-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-6727
N-[(1S)-2-(4-hydroxyanilino)-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

Y043-6727

Molecular Formula

C20H24N4O3 (C20 H24 N4 O3)

Compound Name

N-[(1S)-2-(4-hydroxyanilino)-1-methyl-2-oxoethyl]-4-phenyltetrahydro-1(2H)-pyrazinecarboxamide

IUPAC name

(2S)-N-(4-hydroxyphenyl)-2-[(4-phenylpiperazine-1-carbonyl)amino]propanamide

SMILES

CC(C(Nc(cc1)ccc1O)=O)NC(N(CC1)CCN1c1ccccc1)=O

InChI

InChI=1S/C20H24N4O3/c1-15(19(26)22-16-7-9-18(25)10-8-16)21-20(27)24-13-11-23(12-14-24)17-5-3-2-4-6-17/h2-10,15,25H,11-14H2,1H3,(H,21,27)(H,22,26)/t15-/m0/s1

InChI Key

LZSFSDKPLDTEJC-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.345

Distribution Coefficient, logD

2.341

Water Solubility, LogSw

-2.83

Polar Surface Area

70.433

Acid Dissociation Constant (pKa)

10.11

Base Dissociation Constant (pKb)

7.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

Y043-6727 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y043-6727 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of Y043-6727 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-6727
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-6727
  • 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 Y043-6727 available by request