3795-0404 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-[4-(3-methylphenoxy)phenyl]hexanamide

3795-0404 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-[4-(3-methylphenoxy)phenyl]hexanamide
3795-0404 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-[4-(3-methylphenoxy)phenyl]hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3795-0404
2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-[4-(3-methylphenoxy)phenyl]hexanamide

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

3795-0404

Molecular Formula

C27H26N2O4 (C27 H26 N2 O4)

Compound Name

2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-[4-(3-methylphenoxy)phenyl]hexanamide

IUPAC name

2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-N-[4-(3-methylphenoxy)phenyl]hexanamide

SMILES

CCCCC(C(Nc(cc1)ccc1Oc1cc(C)ccc1)=O)N(C(c1c2cccc1)=O)C2=O

InChI

InChI=1S/C27H26N2O4/c1-3-4-12-24(29-26(31)22-10-5-6-11-23(22)27(29)32)25(30)28-19-13-15-20(16-14-19)33-21-9-7-8-18(2)17-21/h5-11,13-17,24H,3-4,12H2,1-2H3,(H,28,30)/t24-/m0/s1

InChI Key

ILHYXPDODDVSIG-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD03198993

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.408

Distribution Coefficient, logD

6.408

Water Solubility, LogSw

-5.77

Polar Surface Area

58.527

Acid Dissociation Constant (pKa)

12.46

Base Dissociation Constant (pKb)

-0.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

3795-0404 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3795-0404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3795-0404?
Check Price and Availability of 3795-0404, 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 3795-0404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3795-0404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3795-0404
  • 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 3795-0404 available by request