8244-0076 Screening compound: 3-[(4-fluorophenyl)amino]-1-[4-(piperidin-1-yl)phenyl]pyrrolidine-2,5-dione

8244-0076 Screening compound: 3-[(4-fluorophenyl)amino]-1-[4-(piperidin-1-yl)phenyl]pyrrolidine-2,5-dione
8244-0076 Screening compound: 3-[(4-fluorophenyl)amino]-1-[4-(piperidin-1-yl)phenyl]pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8244-0076
3-[(4-fluorophenyl)amino]-1-[4-(piperidin-1-yl)phenyl]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

8244-0076

Molecular Formula

C21H22FN3O2 (C21 H22 FN3 O2)

Compound Name

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

IUPAC name

3-[(4-fluorophenyl)amino]-1-[4-(piperidin-1-yl)phenyl]pyrrolidine-25-dione

SMILES

O=C(CC(C1=O)Nc(cc2)ccc2F)N1c(cc1)ccc1N1CCCCC1

InChI

InChI=1S/C21H22FN3O2/c22-15-4-6-16(7-5-15)23-19-14-20(26)25(21(19)27)18-10-8-17(9-11-18)24-12-2-1-3-13-24/h4-11,19,23H,1-3,12-14H2/t19-/m0/s1

InChI Key

VPPZFNIWYIBIFJ-IBGZPJMESA-N

MDL Number (MFCD)

MFCD02351429

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.830

Distribution Coefficient, logD

2.829

Water Solubility, LogSw

-3.25

Polar Surface Area

43.039

Acid Dissociation Constant (pKa)

13.26

Base Dissociation Constant (pKb)

8.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

8244-0076 in Drug Discovery

Included in Screening Libraries

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

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 8244-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8244-0076?
Check Price and Availability of 8244-0076, 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 8244-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8244-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8244-0076
  • 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 8244-0076 available by request