3226-0290 Screening compound: 4-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetamido]-N-(3-hydroxyphenyl)benzamide

3226-0290 Screening compound: 4-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetamido]-N-(3-hydroxyphenyl)benzamide
3226-0290 Screening compound: 4-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetamido]-N-(3-hydroxyphenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3226-0290
4-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetamido]-N-(3-hydroxyphenyl)benzamide

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

3226-0290

Molecular Formula

C23H17N3O5 (C23 H17 N3 O5)

Compound Name

4-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetamido]-N-(3-hydroxyphenyl)benzamide

IUPAC name

4-[2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)acetamido]-N-(3-hydroxyphenyl)benzamide

SMILES

Oc1cccc(NC(c(cc2)ccc2NC(CN(C(c2c3cccc2)=O)C3=O)=O)=O)c1

InChI

InChI=1S/C23H17N3O5/c27-17-5-3-4-16(12-17)25-21(29)14-8-10-15(11-9-14)24-20(28)13-26-22(30)18-6-1-2-7-19(18)23(26)31/h1-12,27H,13H2,(H,24,28)(H,25,29)

InChI Key

VVNDZXQQZAHENC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01604814

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.501

Distribution Coefficient, logD

2.483

Water Solubility, LogSw

-2.94

Polar Surface Area

93.349

Acid Dissociation Constant (pKa)

8.78

Base Dissociation Constant (pKb)

-0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

3226-0290 in Drug Discovery

Included in Screening Libraries

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

Carbonic Anhydrase II Library (4939 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3226-0290 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3226-0290?
Check Price and Availability of 3226-0290, 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 3226-0290 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3226-0290
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3226-0290
  • 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 3226-0290 available by request