0095-0211 Screening compound: 2-[2-(4-ethoxy-3-methoxyphenyl)-1,3-dioxo-2,3-dihydro-1H-inden-2-yl]-N-phenylacetamide

0095-0211 Screening compound: 2-[2-(4-ethoxy-3-methoxyphenyl)-1,3-dioxo-2,3-dihydro-1H-inden-2-yl]-N-phenylacetamide
0095-0211 Screening compound: 2-[2-(4-ethoxy-3-methoxyphenyl)-1,3-dioxo-2,3-dihydro-1H-inden-2-yl]-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0095-0211
2-[2-(4-ethoxy-3-methoxyphenyl)-1,3-dioxo-2,3-dihydro-1H-inden-2-yl]-N-phenylacetamide

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

0095-0211

Molecular Formula

C26H23NO5 (C26 H23 NO5)

Compound Name

2-[2-(4-ethoxy-3-methoxyphenyl)-1,3-dioxo-2,3-dihydro-1H-inden-2-yl]-N-phenylacetamide

IUPAC name

2-[2-(4-ethoxy-3-methoxyphenyl)-13-dioxo-23-dihydro-1H-inden-2-yl]-N-phenylacetamide

SMILES

CCOc(ccc(C(CC(Nc1ccccc1)=O)(C(c1c2cccc1)=O)C2=O)c1)c1OC

InChI

InChI=1S/C26H23NO5/c1-3-32-21-14-13-17(15-22(21)31-2)26(16-23(28)27-18-9-5-4-6-10-18)24(29)19-11-7-8-12-20(19)25(26)30/h4-15H,3,16H2,1-2H3,(H,27,28)

InChI Key

NWEVETBELBIZDC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00337249

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.041

Distribution Coefficient, logD

4.041

Water Solubility, LogSw

-4.27

Polar Surface Area

64.265

Acid Dissociation Constant (pKa)

10.50

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

0095-0211 in Drug Discovery

Included in Screening Libraries

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 0095-0211 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0095-0211?
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What is the minimum amount of 0095-0211 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0095-0211
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0095-0211
  • 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 0095-0211 available by request