8139-0257 Screening compound: 3-({1-[4-(ethanesulfonyl)phenyl]piperidin-4-yl}amino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione

8139-0257 Screening compound: 3-({1-[4-(ethanesulfonyl)phenyl]piperidin-4-yl}amino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
8139-0257 Screening compound: 3-({1-[4-(ethanesulfonyl)phenyl]piperidin-4-yl}amino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8139-0257
3-({1-[4-(ethanesulfonyl)phenyl]piperidin-4-yl}amino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione

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

8139-0257

Molecular Formula

C25H31N3O5S (C25 H31 N3 O5 S)

Compound Name

3-({1-[4-(ethanesulfonyl)phenyl]piperidin-4-yl}amino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione

IUPAC name

3-({1-[4-(ethanesulfonyl)phenyl]piperidin-4-yl}amino)-1-(4-ethoxyphenyl)pyrrolidine-25-dione

SMILES

CCOc(cc1)ccc1N(C(CC1NC(CC2)CCN2c(cc2)ccc2S(CC)(=O)=O)=O)C1=O

InChI

InChI=1S/C25H31N3O5S/c1-3-33-21-9-5-20(6-10-21)28-24(29)17-23(25(28)30)26-18-13-15-27(16-14-18)19-7-11-22(12-8-19)34(31,32)4-2/h5-12,18,23,26H,3-4,13-17H2,1-2H3/t23-/m0/s1

InChI Key

JEYVWFQQDHHQSK-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD06016012

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.836

Distribution Coefficient, logD

1.835

Water Solubility, LogSw

-2.62

Polar Surface Area

80.055

Acid Dissociation Constant (pKa)

17.24

Base Dissociation Constant (pKb)

4.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

8139-0257 in Drug Discovery

Included in Screening Libraries

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

Cysteine Proteases Inhibitors Library (7839 compounds)

GPCR Targeted Library (31838 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
Targets:
  • Proteases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8139-0257 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8139-0257?
Check Price and Availability of 8139-0257, 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 8139-0257 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8139-0257
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8139-0257
  • 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 8139-0257 available by request