Y042-3613 Screening compound: N-(1H-indol-5-yl)-2-(3-isopropoxypropyl)-1,3-dioxo-5-isoindolinecarboxamide

Y042-3613 Screening compound: N-(1H-indol-5-yl)-2-(3-isopropoxypropyl)-1,3-dioxo-5-isoindolinecarboxamide
Y042-3613 Screening compound: N-(1H-indol-5-yl)-2-(3-isopropoxypropyl)-1,3-dioxo-5-isoindolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-3613
N-(1H-indol-5-yl)-2-(3-isopropoxypropyl)-1,3-dioxo-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

Y042-3613

Molecular Formula

C23H23N3O4 (C23 H23 N3 O4)

Compound Name

N-(1H-indol-5-yl)-2-(3-isopropoxypropyl)-1,3-dioxo-5-isoindolinecarboxamide

IUPAC name

N-(1H-indol-5-yl)-13-dioxo-2-[3-(propan-2-yloxy)propyl]-23-dihydro-1H-isoindole-5-carboxamide

SMILES

CC(C)OCCCN(C(c(cc1)c2cc1C(Nc(cc1)cc3c1[nH]cc3)=O)=O)C2=O

InChI

InChI=1S/C23H23N3O4/c1-14(2)30-11-3-10-26-22(28)18-6-4-16(13-19(18)23(26)29)21(27)25-17-5-7-20-15(12-17)8-9-24-20/h4-9,12-14,24H,3,10-11H2,1-2H3,(H,25,27)

InChI Key

GGQUCEPUAMUXAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12214992

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.031

Distribution Coefficient, logD

3.030

Water Solubility, LogSw

-3.41

Polar Surface Area

69.815

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

-3.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.09

Y042-3613 in Drug Discovery

Included in Screening Libraries

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 Y042-3613 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-3613?
Check Price and Availability of Y042-3613, 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 Y042-3613 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-3613
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-3613
  • 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 Y042-3613 available by request