0800-0744 Screening compound: N-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butyl]-N-(4-methylphenyl)acetamide

0800-0744 Screening compound: N-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butyl]-N-(4-methylphenyl)acetamide
0800-0744 Screening compound: N-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butyl]-N-(4-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0800-0744
N-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butyl]-N-(4-methylphenyl)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

0800-0744

Molecular Formula

C21H22N2O3 (C21 H22 N2 O3)

Compound Name

N-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butyl]-N-(4-methylphenyl)acetamide

IUPAC name

N-[4-(13-dioxo-23-dihydro-1H-isoindol-2-yl)butyl]-N-(4-methylphenyl)acetamide

SMILES

CC(N(CCCCN(C(c1c2cccc1)=O)C2=O)c1ccc(C)cc1)=O

InChI

InChI=1S/C21H22N2O3/c1-15-9-11-17(12-10-15)22(16(2)24)13-5-6-14-23-20(25)18-7-3-4-8-19(18)21(23)26/h3-4,7-12H,5-6,13-14H2,1-2H3

InChI Key

YSYZUYXQJQMANM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00992311

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.138

Distribution Coefficient, logD

3.138

Water Solubility, LogSw

-3.33

Polar Surface Area

45.810

Acid Dissociation Constant (pKa)

23.05

Base Dissociation Constant (pKb)

1.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

0800-0744 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 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
  • Pool

References: we are preparing a list of scientific research reports with 0800-0744 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0800-0744?
Check Price and Availability of 0800-0744, 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 0800-0744 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0800-0744
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0800-0744
  • 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 0800-0744 available by request