8139-0275 Screening compound: 3-{[1-(4-chlorobenzenesulfonyl)piperidin-4-yl]amino}-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione

8139-0275 Screening compound: 3-{[1-(4-chlorobenzenesulfonyl)piperidin-4-yl]amino}-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
8139-0275 Screening compound: 3-{[1-(4-chlorobenzenesulfonyl)piperidin-4-yl]amino}-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8139-0275
3-{[1-(4-chlorobenzenesulfonyl)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

8139-0275

Molecular Formula

C23H26ClN3O5S (C23 H26 ClN3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1N(C(CC1NC(CC2)CCN2S(c(cc2)ccc2Cl)(=O)=O)=O)C1=O

InChI

InChI=1S/C23H26ClN3O5S/c1-2-32-19-7-5-18(6-8-19)27-22(28)15-21(23(27)29)25-17-11-13-26(14-12-17)33(30,31)20-9-3-16(24)4-10-20/h3-10,17,21,25H,2,11-15H2,1H3/t21-/m0/s1

InChI Key

XHIHNBBQTZNRPU-NRFANRHFSA-N

MDL Number (MFCD)

MFCD06017082

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.611

Distribution Coefficient, logD

2.611

Water Solubility, LogSw

-3.39

Polar Surface Area

79.277

Acid Dissociation Constant (pKa)

17.24

Base Dissociation Constant (pKb)

4.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

8139-0275 in Drug Discovery

Included in Screening Libraries

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

Cysteine Proteases Inhibitors Library (7839 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8139-0275 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8139-0275?
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What is the minimum amount of 8139-0275 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8139-0275
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8139-0275
  • 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 8139-0275 available by request