Y044-5306 Screening compound: N~1~-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-4-benzyltetrahydro-1(2H)-pyrazinecarboxamide

Y044-5306 Screening compound: N~1~-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-4-benzyltetrahydro-1(2H)-pyrazinecarboxamide
Y044-5306 Screening compound: N~1~-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-4-benzyltetrahydro-1(2H)-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y044-5306
N~1~-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-4-benzyltetrahydro-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

Y044-5306

Molecular Formula

C21H24N4O4 (C21 H24 N4 O4)

Compound Name

N~1~-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-4-benzyltetrahydro-1(2H)-pyrazinecarboxamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-[(4-benzylpiperazine-1-carbonyl)amino]acetamide

SMILES

O=C(CNC(N1CCN(Cc2ccccc2)CC1)=O)Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C21H24N4O4/c26-20(23-17-6-7-18-19(12-17)29-15-28-18)13-22-21(27)25-10-8-24(9-11-25)14-16-4-2-1-3-5-16/h1-7,12H,8-11,13-15H2,(H,22,27)(H,23,26)

InChI Key

RWTDZGRFUUPDJX-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.179

Distribution Coefficient, logD

1.657

Water Solubility, LogSw

-2.97

Polar Surface Area

70.835

Acid Dissociation Constant (pKa)

11.76

Base Dissociation Constant (pKb)

7.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

References: we are preparing a list of scientific research reports with Y044-5306 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y044-5306?
Check Price and Availability of Y044-5306, 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 Y044-5306 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y044-5306
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y044-5306
  • 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 Y044-5306 available by request