3448-5554 Screening compound: N-(3-{[2-(2,4-dimethylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}phenyl)acetamide

3448-5554 Screening compound: N-(3-{[2-(2,4-dimethylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}phenyl)acetamide
3448-5554 Screening compound: N-(3-{[2-(2,4-dimethylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}phenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-5554
N-(3-{[2-(2,4-dimethylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}phenyl)acetamide

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

3448-5554

Molecular Formula

C24H20N2O4 (C24 H20 N2 O4)

Compound Name

N-(3-{[2-(2,4-dimethylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}phenyl)acetamide

IUPAC name

N-(3-{[2-(24-dimethylphenyl)-13-dioxo-23-dihydro-1H-isoindol-5-yl]oxy}phenyl)acetamide

SMILES

CC(Nc1cccc(Oc(cc2)cc(C(N3c4c(C)cc(C)cc4)=O)c2C3=O)c1)=O

InChI

InChI=1S/C24H20N2O4/c1-14-7-10-22(15(2)11-14)26-23(28)20-9-8-19(13-21(20)24(26)29)30-18-6-4-5-17(12-18)25-16(3)27/h4-13H,1-3H3,(H,25,27)

InChI Key

CBTHLJRDTIJMOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01884863

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.874

Distribution Coefficient, logD

4.874

Water Solubility, LogSw

-4.57

Polar Surface Area

58.589

Acid Dissociation Constant (pKa)

13.02

Base Dissociation Constant (pKb)

-1.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

3448-5554 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 3448-5554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-5554?
Check Price and Availability of 3448-5554, 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 3448-5554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-5554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-5554
  • 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 3448-5554 available by request