Y031-4758 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide

Y031-4758 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
Y031-4758 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-4758
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide

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

Y031-4758

Molecular Formula

C19H17ClN2O4 (C19 H17 ClN2 O4)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide

SMILES

O=C(C(CC1=O)CN1c(cc1)ccc1Cl)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C19H17ClN2O4/c20-14-2-4-15(5-3-14)22-10-13(8-18(22)23)19(24)21-9-12-1-6-16-17(7-12)26-11-25-16/h1-7,13H,8-11H2,(H,21,24)/t13-/m1/s1

InChI Key

DLXXWBHLXFFGGU-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD07401258

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.81

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.455

Distribution Coefficient, logD

2.455

Water Solubility, LogSw

-3.44

Polar Surface Area

58.517

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

-2.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

Y031-4758 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y031-4758 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-4758?
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What is the minimum amount of Y031-4758 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-4758
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-4758
  • 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 Y031-4758 available by request