E938-0068 Screening compound: 3-[(1,3-dioxo-2-phenyl-2,3-dihydro-1H-inden-2-yl)amino]-4-methoxybenzoic acid

E938-0068 Screening compound: 3-[(1,3-dioxo-2-phenyl-2,3-dihydro-1H-inden-2-yl)amino]-4-methoxybenzoic acid
E938-0068 Screening compound: 3-[(1,3-dioxo-2-phenyl-2,3-dihydro-1H-inden-2-yl)amino]-4-methoxybenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound E938-0068
3-[(1,3-dioxo-2-phenyl-2,3-dihydro-1H-inden-2-yl)amino]-4-methoxybenzoic 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

E938-0068

Molecular Formula

C23H17NO5 (C23 H17 NO5)

Compound Name

3-[(1,3-dioxo-2-phenyl-2,3-dihydro-1H-inden-2-yl)amino]-4-methoxybenzoic acid

IUPAC name

3-[(13-dioxo-2-phenyl-23-dihydro-1H-inden-2-yl)amino]-4-methoxybenzoic acid

SMILES

COc(ccc(C(O)=O)c1)c1NC(C(c1c2cccc1)=O)(C2=O)c1ccccc1

InChI

InChI=1S/C23H17NO5/c1-29-19-12-11-14(22(27)28)13-18(19)24-23(15-7-3-2-4-8-15)20(25)16-9-5-6-10-17(16)21(23)26/h2-13,24H,1H3,(H,27,28)

InChI Key

LDCPJTULYVPPRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09696401

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.39

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

4.537

Distribution Coefficient, logD

2.526

Water Solubility, LogSw

-4.31

Polar Surface Area

72.474

Acid Dissociation Constant (pKa)

5.39

Base Dissociation Constant (pKb)

-7.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

E938-0068 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 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 E938-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E938-0068?
Check Price and Availability of E938-0068, 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 E938-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E938-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E938-0068
  • 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 E938-0068 available by request