8006-5020 Screening compound: benzyl 2-[(4-methoxyphenyl)carbamoyl]-5-oxopyrrolidine-1-carboxylate

8006-5020 Screening compound: benzyl 2-[(4-methoxyphenyl)carbamoyl]-5-oxopyrrolidine-1-carboxylate
8006-5020 Screening compound: benzyl 2-[(4-methoxyphenyl)carbamoyl]-5-oxopyrrolidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-5020
benzyl 2-[(4-methoxyphenyl)carbamoyl]-5-oxopyrrolidine-1-carboxylate

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

8006-5020

Molecular Formula

C20H20N2O5 (C20 H20 N2 O5)

Compound Name

benzyl 2-[(4-methoxyphenyl)carbamoyl]-5-oxopyrrolidine-1-carboxylate

IUPAC name

benzyl 2-[(4-methoxyphenyl)carbamoyl]-5-oxopyrrolidine-1-carboxylate

SMILES

COc(cc1)ccc1NC(C(CC1)N(C(OCc2ccccc2)=O)C1=O)=O

InChI

InChI=1S/C20H20N2O5/c1-26-16-9-7-15(8-10-16)21-19(24)17-11-12-18(23)22(17)20(25)27-13-14-5-3-2-4-6-14/h2-10,17H,11-13H2,1H3,(H,21,24)/t17-/m1/s1

InChI Key

QBNNRNKLBJEHRD-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD00825424

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.292

Distribution Coefficient, logD

2.292

Water Solubility, LogSw

-2.73

Polar Surface Area

66.662

Acid Dissociation Constant (pKa)

12.00

Base Dissociation Constant (pKb)

1.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

8006-5020 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8006-5020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-5020?
Check Price and Availability of 8006-5020, 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 8006-5020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-5020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-5020
  • 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 8006-5020 available by request