0351-0412 Screening compound: 4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(4-methylphenyl)butanamide

0351-0412 Screening compound: 4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(4-methylphenyl)butanamide
0351-0412 Screening compound: 4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(4-methylphenyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0351-0412
4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(4-methylphenyl)butanamide

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

0351-0412

Molecular Formula

C19H18N2O3 (C19 H18 N2 O3)

Compound Name

4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(4-methylphenyl)butanamide

IUPAC name

4-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-N-(4-methylphenyl)butanamide

SMILES

Cc(cc1)ccc1NC(CCCN(C(c1c2cccc1)=O)C2=O)=O

InChI

InChI=1S/C19H18N2O3/c1-13-8-10-14(11-9-13)20-17(22)7-4-12-21-18(23)15-5-2-3-6-16(15)19(21)24/h2-3,5-6,8-11H,4,7,12H2,1H3,(H,20,22)

InChI Key

AKWLGNJWVPSPJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00387161

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.436

Distribution Coefficient, logD

2.436

Water Solubility, LogSw

-3.03

Polar Surface Area

52.619

Acid Dissociation Constant (pKa)

12.40

Base Dissociation Constant (pKb)

2.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

0351-0412 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Frequent Hitters Library (7624 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 0351-0412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0351-0412?
Check Price and Availability of 0351-0412, 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 0351-0412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0351-0412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0351-0412
  • 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 0351-0412 available by request