8440-0517 Screening compound: 1-(4-methoxyphenyl)-3-{[4-(piperidin-1-yl)phenyl]amino}pyrrolidine-2,5-dione

8440-0517 Screening compound: 1-(4-methoxyphenyl)-3-{[4-(piperidin-1-yl)phenyl]amino}pyrrolidine-2,5-dione
8440-0517 Screening compound: 1-(4-methoxyphenyl)-3-{[4-(piperidin-1-yl)phenyl]amino}pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8440-0517
1-(4-methoxyphenyl)-3-{[4-(piperidin-1-yl)phenyl]amino}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

8440-0517

Molecular Formula

C22H25N3O3 (C22 H25 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1N(C(CC1Nc(cc2)ccc2N2CCCCC2)=O)C1=O

InChI

InChI=1S/C22H25N3O3/c1-28-19-11-9-18(10-12-19)25-21(26)15-20(22(25)27)23-16-5-7-17(8-6-16)24-13-3-2-4-14-24/h5-12,20,23H,2-4,13-15H2,1H3/t20-/m0/s1

InChI Key

BOYDRIMGJQQFAE-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD02073305

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.783

Distribution Coefficient, logD

2.727

Water Solubility, LogSw

-3.21

Polar Surface Area

50.583

Acid Dissociation Constant (pKa)

13.65

Base Dissociation Constant (pKb)

6.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

8440-0517 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
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 8440-0517 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8440-0517?
Check Price and Availability of 8440-0517, 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 8440-0517 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8440-0517
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8440-0517
  • 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 8440-0517 available by request