C389-0285 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-4-methyl-3-(2-oxopyrrolidin-1-yl)benzamide

C389-0285 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-4-methyl-3-(2-oxopyrrolidin-1-yl)benzamide
C389-0285 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-4-methyl-3-(2-oxopyrrolidin-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C389-0285
N-[2-(3,4-diethoxyphenyl)ethyl]-4-methyl-3-(2-oxopyrrolidin-1-yl)benzamide

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

C389-0285

Molecular Formula

C24H30N2O4 (C24 H30 N2 O4)

Compound Name

N-[2-(3,4-diethoxyphenyl)ethyl]-4-methyl-3-(2-oxopyrrolidin-1-yl)benzamide

IUPAC name

N-[2-(34-diethoxyphenyl)ethyl]-4-methyl-3-(2-oxopyrrolidin-1-yl)benzamide

SMILES

CCOc(ccc(CCNC(c1cc(N(CCC2)C2=O)c(C)cc1)=O)c1)c1OCC

InChI

InChI=1S/C24H30N2O4/c1-4-29-21-11-9-18(15-22(21)30-5-2)12-13-25-24(28)19-10-8-17(3)20(16-19)26-14-6-7-23(26)27/h8-11,15-16H,4-7,12-14H2,1-3H3,(H,25,28)

InChI Key

YRSWENGCYHWMDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14755719

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.008

Distribution Coefficient, logD

3.008

Water Solubility, LogSw

-3.23

Polar Surface Area

55.429

Acid Dissociation Constant (pKa)

13.64

Base Dissociation Constant (pKb)

-3.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

C389-0285 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with C389-0285 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C389-0285?
Check Price and Availability of C389-0285, 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 C389-0285 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C389-0285
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C389-0285
  • 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 C389-0285 available by request