Y031-0716 Screening compound: N-{4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl}-2-methylpropanamide

Y031-0716 Screening compound: N-{4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl}-2-methylpropanamide
Y031-0716 Screening compound: N-{4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl}-2-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-0716
N-{4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl}-2-methylpropanamide

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

Y031-0716

Molecular Formula

C20H23N3O4 (C20 H23 N3 O4)

Compound Name

N-{4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl}-2-methylpropanamide

IUPAC name

N-{4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl}-2-methylpropanamide

SMILES

CC(C)C(Nc(cc1)ccc1C(N(CC1)CCN1C(c1ccco1)=O)=O)=O

InChI

InChI=1S/C20H23N3O4/c1-14(2)18(24)21-16-7-5-15(6-8-16)19(25)22-9-11-23(12-10-22)20(26)17-4-3-13-27-17/h3-8,13-14H,9-12H2,1-2H3,(H,21,24)

InChI Key

OXBLIIWNBNSVTH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05882674

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.42

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

1.481

Distribution Coefficient, logD

1.481

Water Solubility, LogSw

-1.83

Polar Surface Area

65.284

Acid Dissociation Constant (pKa)

10.27

Base Dissociation Constant (pKb)

-0.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

Y031-0716 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

3D-Biodiversity Library (27607 compounds)

CORONAVIRUS Library (20774 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with Y031-0716 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-0716?
Check Price and Availability of Y031-0716, 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 Y031-0716 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-0716
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-0716
  • 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 Y031-0716 available by request