0176-0065 Screening compound: 1-benzyl-2,5-dihydro-1H-pyrrole-2,5-dione

0176-0065 Screening compound: 1-benzyl-2,5-dihydro-1H-pyrrole-2,5-dione
0176-0065 Screening compound: 1-benzyl-2,5-dihydro-1H-pyrrole-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0176-0065
1-benzyl-2,5-dihydro-1H-pyrrole-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

0176-0065

Molecular Formula

C11H9NO2 (C11 H9 NO2)

Compound Name

1-benzyl-2,5-dihydro-1H-pyrrole-2,5-dione

IUPAC name

1-benzyl-25-dihydro-1H-pyrrole-25-dione

SMILES

O=C(C=C1)N(Cc2ccccc2)C1=O

InChI

InChI=1S/C11H9NO2/c13-10-6-7-11(14)12(10)8-9-4-2-1-3-5-9/h1-7H,8H2

InChI Key

MKRBAPNEJMFMHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00014540

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

187.2

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.375

Distribution Coefficient, logD

2.375

Water Solubility, LogSw

-2.53

Polar Surface Area

30.318

Acid Dissociation Constant (pKa)

26.01

Base Dissociation Constant (pKb)

-0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

0176-0065 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Human Kinases Annotated Library (2415 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Agro:
  • Agro
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 0176-0065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0176-0065?
Check Price and Availability of 0176-0065, 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 0176-0065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0176-0065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0176-0065
  • 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 0176-0065 available by request