2174-0461 Screening compound: 1-(4-nitrophenyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione

2174-0461 Screening compound: 1-(4-nitrophenyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione
2174-0461 Screening compound: 1-(4-nitrophenyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2174-0461
1-(4-nitrophenyl)-3-(1-phenylethyl)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

2174-0461

Molecular Formula

C18H16N2O4 (C18 H16 N2 O4)

Compound Name

1-(4-nitrophenyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione

IUPAC name

1-(4-nitrophenyl)-3-(1-phenylethyl)pyrrolidine-25-dione

SMILES

CC(C(CC(N1c(cc2)ccc2[N+]([O-])=O)=O)C1=O)c1ccccc1

InChI

InChI=1S/C18H16N2O4/c1-12(13-5-3-2-4-6-13)16-11-17(21)19(18(16)22)14-7-9-15(10-8-14)20(23)24/h2-10,12,16H,11H2,1H3

InChI Key

KPYIUCXVOGYSCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01190793

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.34

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.620

Distribution Coefficient, logD

2.620

Water Solubility, LogSw

-3.06

Polar Surface Area

62.539

Acid Dissociation Constant (pKa)

15.84

Base Dissociation Constant (pKb)

-7.81

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.20

2174-0461 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2174-0461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2174-0461?
Check Price and Availability of 2174-0461, 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 2174-0461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2174-0461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2174-0461
  • 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 2174-0461 available by request