3226-1532 Screening compound: N-(3-hydroxyphenyl)-3-(5-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanamide

3226-1532 Screening compound: N-(3-hydroxyphenyl)-3-(5-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanamide
3226-1532 Screening compound: N-(3-hydroxyphenyl)-3-(5-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3226-1532
N-(3-hydroxyphenyl)-3-(5-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanamide

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

3226-1532

Molecular Formula

C17H13N3O6 (C17 H13 N3 O6)

Compound Name

N-(3-hydroxyphenyl)-3-(5-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanamide

IUPAC name

N-(3-hydroxyphenyl)-3-(5-nitro-13-dioxo-23-dihydro-1H-isoindol-2-yl)propanamide

SMILES

[O-][N+](c(cc1)cc(C(N2CCC(Nc3cc(O)ccc3)=O)=O)c1C2=O)=O

InChI

InChI=1S/C17H13N3O6/c21-12-3-1-2-10(8-12)18-15(22)6-7-19-16(23)13-5-4-11(20(25)26)9-14(13)17(19)24/h1-5,8-9,21H,6-7H2,(H,18,22)

InChI Key

KICOEEWLGLMNPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02047078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.31

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.665

Distribution Coefficient, logD

1.658

Water Solubility, LogSw

-2.36

Polar Surface Area

103.618

Acid Dissociation Constant (pKa)

9.19

Base Dissociation Constant (pKb)

-0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

3226-1532 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Human Kinases Annotated Library (2415 compounds)

Selective Target Activity Profiling Library (14702 compounds)

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 3226-1532 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3226-1532?
Check Price and Availability of 3226-1532, 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 3226-1532 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3226-1532
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3226-1532
  • 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 3226-1532 available by request