Y031-3616 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

Y031-3616 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
Y031-3616 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-3616
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-ethoxyphenyl)-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

Y031-3616

Molecular Formula

C21H22N2O5 (C21 H22 N2 O5)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1N(CC(C1)C(NCc(cc2)cc3c2OCO3)=O)C1=O

InChI

InChI=1S/C21H22N2O5/c1-2-26-17-6-4-16(5-7-17)23-12-15(10-20(23)24)21(25)22-11-14-3-8-18-19(9-14)28-13-27-18/h3-9,15H,2,10-13H2,1H3,(H,22,25)/t15-/m1/s1

InChI Key

MHTPZLCSPNUENT-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD07397927

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.42

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

2.229

Distribution Coefficient, logD

2.229

Water Solubility, LogSw

-2.87

Polar Surface Area

65.641

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

Y031-3616 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y031-3616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-3616?
Check Price and Availability of Y031-3616, 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 Y031-3616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-3616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-3616
  • 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 Y031-3616 available by request