E973-0076 Screening compound: 3-{[2-(4-methoxyphenyl)-1,3-dioxo-2,3-dihydro-1H-inden-2-yl]amino}-2-methylbenzoic acid

E973-0076 Screening compound: 3-{[2-(4-methoxyphenyl)-1,3-dioxo-2,3-dihydro-1H-inden-2-yl]amino}-2-methylbenzoic acid
E973-0076 Screening compound: 3-{[2-(4-methoxyphenyl)-1,3-dioxo-2,3-dihydro-1H-inden-2-yl]amino}-2-methylbenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound E973-0076
3-{[2-(4-methoxyphenyl)-1,3-dioxo-2,3-dihydro-1H-inden-2-yl]amino}-2-methylbenzoic acid

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

E973-0076

Molecular Formula

C24H19NO5 (C24 H19 NO5)

Compound Name

3-{[2-(4-methoxyphenyl)-1,3-dioxo-2,3-dihydro-1H-inden-2-yl]amino}-2-methylbenzoic acid

IUPAC name

3-{[2-(4-methoxyphenyl)-13-dioxo-23-dihydro-1H-inden-2-yl]amino}-2-methylbenzoic acid

SMILES

Cc(c(C(O)=O)ccc1)c1NC(C(c1c2cccc1)=O)(C2=O)c(cc1)ccc1OC

InChI

InChI=1S/C24H19NO5/c1-14-17(23(28)29)8-5-9-20(14)25-24(15-10-12-16(30-2)13-11-15)21(26)18-6-3-4-7-19(18)22(24)27/h3-13,25H,1-2H3,(H,28,29)

InChI Key

HNRLVRUZPQQFSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09696446

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.705

Distribution Coefficient, logD

1.847

Water Solubility, LogSw

-4.21

Polar Surface Area

72.387

Acid Dissociation Constant (pKa)

4.54

Base Dissociation Constant (pKb)

-8.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

E973-0076 in Drug Discovery

Included in Screening Libraries

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

RAR (Nuclear receptors) Ligands Library (6524 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Digestive system
  • Nervous system
Targets:
  • Nuclear receptors
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E973-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E973-0076?
Check Price and Availability of E973-0076, 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 E973-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E973-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E973-0076
  • 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 E973-0076 available by request