8016-8823 Screening compound: ethyl 4-(3-{4-[(4-fluorophenyl)amino]piperidin-1-yl}-2,5-dioxopyrrolidin-1-yl)benzoate

8016-8823 Screening compound: ethyl 4-(3-{4-[(4-fluorophenyl)amino]piperidin-1-yl}-2,5-dioxopyrrolidin-1-yl)benzoate
8016-8823 Screening compound: ethyl 4-(3-{4-[(4-fluorophenyl)amino]piperidin-1-yl}-2,5-dioxopyrrolidin-1-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-8823
ethyl 4-(3-{4-[(4-fluorophenyl)amino]piperidin-1-yl}-2,5-dioxopyrrolidin-1-yl)benzoate

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

8016-8823

Molecular Formula

C24H26FN3O4 (C24 H26 FN3 O4)

Compound Name

ethyl 4-(3-{4-[(4-fluorophenyl)amino]piperidin-1-yl}-2,5-dioxopyrrolidin-1-yl)benzoate

IUPAC name

ethyl 4-(3-{4-[(4-fluorophenyl)amino]piperidin-1-yl}-25-dioxopyrrolidin-1-yl)benzoate

SMILES

CCOC(c(cc1)ccc1N(C(CC1N(CC2)CCC2Nc(cc2)ccc2F)=O)C1=O)=O

InChI

InChI=1S/C24H26FN3O4/c1-2-32-24(31)16-3-9-20(10-4-16)28-22(29)15-21(23(28)30)27-13-11-19(12-14-27)26-18-7-5-17(25)6-8-18/h3-10,19,21,26H,2,11-15H2,1H3/t21-/m0/s1

InChI Key

HWAYWXRSVANSSV-NRFANRHFSA-N

MDL Number (MFCD)

MFCD05859965

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.872

Distribution Coefficient, logD

2.872

Water Solubility, LogSw

-3.16

Polar Surface Area

62.509

Acid Dissociation Constant (pKa)

17.30

Base Dissociation Constant (pKb)

4.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

8016-8823 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

GPCR Targeted Library (31838 compounds)

Anti-HIV1 Library (19540 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Proteases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8016-8823 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-8823?
Check Price and Availability of 8016-8823, 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 8016-8823 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-8823
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-8823
  • 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 8016-8823 available by request