8139-0398 Screening compound: 1-[4-(hexyloxy)phenyl]-3-[4-(pyridin-4-yl)piperidin-1-yl]pyrrolidine-2,5-dione

8139-0398 Screening compound: 1-[4-(hexyloxy)phenyl]-3-[4-(pyridin-4-yl)piperidin-1-yl]pyrrolidine-2,5-dione
8139-0398 Screening compound: 1-[4-(hexyloxy)phenyl]-3-[4-(pyridin-4-yl)piperidin-1-yl]pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8139-0398
1-[4-(hexyloxy)phenyl]-3-[4-(pyridin-4-yl)piperidin-1-yl]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

8139-0398

Molecular Formula

C26H33N3O3 (C26 H33 N3 O3)

Compound Name

1-[4-(hexyloxy)phenyl]-3-[4-(pyridin-4-yl)piperidin-1-yl]pyrrolidine-2,5-dione

IUPAC name

1-[4-(hexyloxy)phenyl]-3-[4-(pyridin-4-yl)piperidin-1-yl]pyrrolidine-25-dione

SMILES

CCCCCCOc(cc1)ccc1N(C(CC1N(CC2)CCC2c2ccncc2)=O)C1=O

InChI

InChI=1S/C26H33N3O3/c1-2-3-4-5-18-32-23-8-6-22(7-9-23)29-25(30)19-24(26(29)31)28-16-12-21(13-17-28)20-10-14-27-15-11-20/h6-11,14-15,21,24H,2-5,12-13,16-19H2,1H3/t24-/m0/s1

InChI Key

OPHPOHLALVXDPA-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD06617681

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.234

Distribution Coefficient, logD

4.186

Water Solubility, LogSw

-3.99

Polar Surface Area

48.562

Acid Dissociation Constant (pKa)

17.30

Base Dissociation Constant (pKb)

6.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

8139-0398 in Drug Discovery

Included in Screening Libraries

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 8139-0398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8139-0398?
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What is the minimum amount of 8139-0398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8139-0398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8139-0398
  • 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 8139-0398 available by request