6062-0009 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide

6062-0009 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
6062-0009 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6062-0009
N-(2H-1,3-benzodioxol-5-yl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-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

6062-0009

Molecular Formula

C21H22N2O5 (C21 H22 N2 O5)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide

SMILES

CCCOc(cc1)ccc1N(CC(C1)C(Nc(cc2)cc3c2OCO3)=O)C1=O

InChI

InChI=1S/C21H22N2O5/c1-2-9-26-17-6-4-16(5-7-17)23-12-14(10-20(23)24)21(25)22-15-3-8-18-19(11-15)28-13-27-18/h3-8,11,14H,2,9-10,12-13H2,1H3,(H,22,25)/t14-/m1/s1

InChI Key

XSCJSBLYHOGFJL-CQSZACIVSA-N

MDL Number (MFCD)

MFCD03295094

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

3.051

Distribution Coefficient, logD

3.050

Water Solubility, LogSw

-3.26

Polar Surface Area

64.613

Acid Dissociation Constant (pKa)

10.09

Base Dissociation Constant (pKb)

-0.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

6062-0009 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 6062-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6062-0009?
Check Price and Availability of 6062-0009, 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 6062-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6062-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6062-0009
  • 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 6062-0009 available by request