Y044-5466 Screening compound: 4-(3-chlorophenyl)-N-[2-(1H-indol-6-ylamino)-2-oxoethyl]tetrahydro-1(2H)-pyrazinecarboxamide

Y044-5466 Screening compound: 4-(3-chlorophenyl)-N-[2-(1H-indol-6-ylamino)-2-oxoethyl]tetrahydro-1(2H)-pyrazinecarboxamide
Y044-5466 Screening compound: 4-(3-chlorophenyl)-N-[2-(1H-indol-6-ylamino)-2-oxoethyl]tetrahydro-1(2H)-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y044-5466
4-(3-chlorophenyl)-N-[2-(1H-indol-6-ylamino)-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

Y044-5466

Molecular Formula

C21H22ClN5O2 (C21 H22 ClN5 O2)

Compound Name

4-(3-chlorophenyl)-N-[2-(1H-indol-6-ylamino)-2-oxoethyl]tetrahydro-1(2H)-pyrazinecarboxamide

IUPAC name

2-{[4-(3-chlorophenyl)piperazine-1-carbonyl]amino}-N-(1H-indol-6-yl)acetamide

SMILES

O=C(CNC(N(CC1)CCN1c1cccc(Cl)c1)=O)Nc1cc([nH]cc2)c2cc1

InChI

InChI=1S/C21H22ClN5O2/c22-16-2-1-3-18(12-16)26-8-10-27(11-9-26)21(29)24-14-20(28)25-17-5-4-15-6-7-23-19(15)13-17/h1-7,12-13,23H,8-11,14H2,(H,24,29)(H,25,28)

InChI Key

JGRLTXYADHXXRS-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.89

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.547

Distribution Coefficient, logD

3.547

Water Solubility, LogSw

-3.69

Polar Surface Area

63.221

Acid Dissociation Constant (pKa)

12.64

Base Dissociation Constant (pKb)

6.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.81

References: we are preparing a list of scientific research reports with Y044-5466 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y044-5466?
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What is the minimum amount of Y044-5466 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y044-5466
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y044-5466
  • 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 Y044-5466 available by request