3454-1748 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(3-nitrophenyl)acetamide

3454-1748 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(3-nitrophenyl)acetamide
3454-1748 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(3-nitrophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3454-1748
2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(3-nitrophenyl)acetamide

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

3454-1748

Molecular Formula

C16H11N3O5 (C16 H11 N3 O5)

Compound Name

2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(3-nitrophenyl)acetamide

IUPAC name

2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-N-(3-nitrophenyl)acetamide

SMILES

[O-][N+](c1cc(NC(CN(C(c2c3cccc2)=O)C3=O)=O)ccc1)=O

InChI

InChI=1S/C16H11N3O5/c20-14(17-10-4-3-5-11(8-10)19(23)24)9-18-15(21)12-6-1-2-7-13(12)16(18)22/h1-8H,9H2,(H,17,20)

InChI Key

IXLBXRJLVSNXEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01127627

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.28

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.354

Distribution Coefficient, logD

2.354

Water Solubility, LogSw

-3.20

Polar Surface Area

86.022

Acid Dissociation Constant (pKa)

10.43

Base Dissociation Constant (pKb)

-1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

3454-1748 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 3454-1748 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3454-1748?
Check Price and Availability of 3454-1748, 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 3454-1748 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3454-1748
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3454-1748
  • 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 3454-1748 available by request