3952-0876 Screening compound: N-[5-benzoyl-2-(4-methoxybenzamido)phenyl]-4-methoxybenzamide

3952-0876 Screening compound: N-[5-benzoyl-2-(4-methoxybenzamido)phenyl]-4-methoxybenzamide
3952-0876 Screening compound: N-[5-benzoyl-2-(4-methoxybenzamido)phenyl]-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3952-0876
N-[5-benzoyl-2-(4-methoxybenzamido)phenyl]-4-methoxybenzamide

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

3952-0876

Molecular Formula

C29H24N2O5 (C29 H24 N2 O5)

Compound Name

N-[5-benzoyl-2-(4-methoxybenzamido)phenyl]-4-methoxybenzamide

IUPAC name

N-[5-benzoyl-2-(4-methoxybenzamido)phenyl]-4-methoxybenzamide

SMILES

COc(cc1)ccc1C(Nc(ccc(C(c1ccccc1)=O)c1)c1NC(c(cc1)ccc1OC)=O)=O

InChI

InChI=1S/C29H24N2O5/c1-35-23-13-8-20(9-14-23)28(33)30-25-17-12-22(27(32)19-6-4-3-5-7-19)18-26(25)31-29(34)21-10-15-24(36-2)16-11-21/h3-18H,1-2H3,(H,30,33)(H,31,34)

InChI Key

OZKJDOAKOXBUEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01604763

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.140

Distribution Coefficient, logD

4.745

Water Solubility, LogSw

-5.12

Polar Surface Area

73.580

Acid Dissociation Constant (pKa)

7.23

Base Dissociation Constant (pKb)

-6.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.90

3952-0876 in Drug Discovery

Included in Screening Libraries

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

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases
  • Kinases

References: we are preparing a list of scientific research reports with 3952-0876 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3952-0876?
Check Price and Availability of 3952-0876, 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 3952-0876 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3952-0876
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3952-0876
  • 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 3952-0876 available by request