4400-0044 Screening compound: 2-({4-[(4-ethoxyphenyl)(methyl)amino]phenyl}methylidene)-2,3-dihydro-1H-indene-1,3-dione

4400-0044 Screening compound: 2-({4-[(4-ethoxyphenyl)(methyl)amino]phenyl}methylidene)-2,3-dihydro-1H-indene-1,3-dione
4400-0044 Screening compound: 2-({4-[(4-ethoxyphenyl)(methyl)amino]phenyl}methylidene)-2,3-dihydro-1H-indene-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4400-0044
2-({4-[(4-ethoxyphenyl)(methyl)amino]phenyl}methylidene)-2,3-dihydro-1H-indene-1,3-dione

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

4400-0044

Molecular Formula

C25H21NO3 (C25 H21 NO3)

Compound Name

2-({4-[(4-ethoxyphenyl)(methyl)amino]phenyl}methylidene)-2,3-dihydro-1H-indene-1,3-dione

IUPAC name

2-({4-[(4-ethoxyphenyl)(methyl)amino]phenyl}methylidene)-23-dihydro-1H-indene-13-dione

SMILES

CCOc(cc1)ccc1N(C)c1ccc(C=C(C(c2c3cccc2)=O)C3=O)cc1

InChI

InChI=1S/C25H21NO3/c1-3-29-20-14-12-19(13-15-20)26(2)18-10-8-17(9-11-18)16-23-24(27)21-6-4-5-7-22(21)25(23)28/h4-16H,3H2,1-2H3

InChI Key

JBWVAADAFNASLG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01626077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.745

Distribution Coefficient, logD

4.744

Water Solubility, LogSw

-4.54

Polar Surface Area

35.843

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

6.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

4400-0044 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4400-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4400-0044?
Check Price and Availability of 4400-0044, 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 4400-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4400-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4400-0044
  • 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 4400-0044 available by request