C389-0694 Screening compound: 1-{4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]phenyl}pyrrolidin-2-one

C389-0694 Screening compound: 1-{4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]phenyl}pyrrolidin-2-one
C389-0694 Screening compound: 1-{4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]phenyl}pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C389-0694
1-{4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]phenyl}pyrrolidin-2-one

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

C389-0694

Molecular Formula

C23H27N3O2 (C23 H27 N3 O2)

Compound Name

1-{4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]phenyl}pyrrolidin-2-one

IUPAC name

1-{4-[4-(25-dimethylphenyl)piperazine-1-carbonyl]phenyl}pyrrolidin-2-one

SMILES

Cc1cc(N(CC2)CCN2C(c(cc2)ccc2N(CCC2)C2=O)=O)c(C)cc1

InChI

InChI=1S/C23H27N3O2/c1-17-5-6-18(2)21(16-17)24-12-14-25(15-13-24)23(28)19-7-9-20(10-8-19)26-11-3-4-22(26)27/h5-10,16H,3-4,11-15H2,1-2H3

InChI Key

IDPYALNLJLWVBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14755752

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.682

Distribution Coefficient, logD

3.682

Water Solubility, LogSw

-3.87

Polar Surface Area

36.663

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

4.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

C389-0694 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Selective Target Activity Profiling Library (14702 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C389-0694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C389-0694?
Check Price and Availability of C389-0694, 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 C389-0694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C389-0694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C389-0694
  • 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 C389-0694 available by request