Y031-9889 Screening compound: ethyl 4-[4-(acetylamino)benzoyl]tetrahydro-1(2H)-pyrazinecarboxylate

Y031-9889 Screening compound: ethyl 4-[4-(acetylamino)benzoyl]tetrahydro-1(2H)-pyrazinecarboxylate
Y031-9889 Screening compound: ethyl 4-[4-(acetylamino)benzoyl]tetrahydro-1(2H)-pyrazinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-9889
ethyl 4-[4-(acetylamino)benzoyl]tetrahydro-1(2H)-pyrazinecarboxylate

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

Y031-9889

Molecular Formula

C16H21N3O4 (C16 H21 N3 O4)

Compound Name

ethyl 4-[4-(acetylamino)benzoyl]tetrahydro-1(2H)-pyrazinecarboxylate

IUPAC name

ethyl 4-(4-acetamidobenzoyl)piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(c(cc1)ccc1NC(C)=O)=O)=O

InChI

InChI=1S/C16H21N3O4/c1-3-23-16(22)19-10-8-18(9-11-19)15(21)13-4-6-14(7-5-13)17-12(2)20/h4-7H,3,8-11H2,1-2H3,(H,17,20)

InChI Key

ACKPJNGQQZINFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01195220

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.841

Distribution Coefficient, logD

0.841

Water Solubility, LogSw

-1.88

Polar Surface Area

62.929

Acid Dissociation Constant (pKa)

10.78

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.75

Y031-9889 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with Y031-9889 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-9889?
Check Price and Availability of Y031-9889, 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 Y031-9889 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-9889
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-9889
  • 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 Y031-9889 available by request