Y042-3623 Screening compound: 1,3-dioxo-2-(3-phenylpropyl)-N-(4-pyridyl)-5-isoindolinecarboxamide

Y042-3623 Screening compound: 1,3-dioxo-2-(3-phenylpropyl)-N-(4-pyridyl)-5-isoindolinecarboxamide
Y042-3623 Screening compound: 1,3-dioxo-2-(3-phenylpropyl)-N-(4-pyridyl)-5-isoindolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-3623
1,3-dioxo-2-(3-phenylpropyl)-N-(4-pyridyl)-5-isoindolinecarboxamide

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

Y042-3623

Molecular Formula

C23H19N3O3 (C23 H19 N3 O3)

Compound Name

1,3-dioxo-2-(3-phenylpropyl)-N-(4-pyridyl)-5-isoindolinecarboxamide

IUPAC name

13-dioxo-2-(3-phenylpropyl)-N-(pyridin-4-yl)-23-dihydro-1H-isoindole-5-carboxamide

SMILES

O=C(c(cc1)cc(C(N2CCCc3ccccc3)=O)c1C2=O)Nc1ccncc1

InChI

InChI=1S/C23H19N3O3/c27-21(25-18-10-12-24-13-11-18)17-8-9-19-20(15-17)23(29)26(22(19)28)14-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-13,15H,4,7,14H2,(H,24,25,27)

InChI Key

FCETWKKXSJAXDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12210924

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.428

Distribution Coefficient, logD

3.402

Water Solubility, LogSw

-3.75

Polar Surface Area

61.989

Acid Dissociation Constant (pKa)

8.61

Base Dissociation Constant (pKb)

4.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.04

Y042-3623 in Drug Discovery

Included in Screening Libraries

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

Lipid Metabolism Library (9174 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y042-3623 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-3623?
Check Price and Availability of Y042-3623, 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 Y042-3623 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-3623
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-3623
  • 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 Y042-3623 available by request