C796-0554 Screening compound: 1-(4-ethoxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione

C796-0554 Screening compound: 1-(4-ethoxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
C796-0554 Screening compound: 1-(4-ethoxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C796-0554
1-(4-ethoxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-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

C796-0554

Molecular Formula

C12H11NO3 (C12 H11 NO3)

Compound Name

1-(4-ethoxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione

IUPAC name

1-(4-ethoxyphenyl)-25-dihydro-1H-pyrrole-25-dione

SMILES

CCOc(cc1)ccc1N(C(C=C1)=O)C1=O

InChI

InChI=1S/C12H11NO3/c1-2-16-10-5-3-9(4-6-10)13-11(14)7-8-12(13)15/h3-8H,2H2,1H3

InChI Key

HLQZPKWGAFLVHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00458572

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

217.22

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.583

Distribution Coefficient, logD

1.583

Water Solubility, LogSw

-1.98

Polar Surface Area

36.830

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

3.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C796-0554 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Nucleoside Mimetics Library (2197 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Targets:
  • Kinases
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C796-0554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C796-0554?
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What is the minimum amount of C796-0554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C796-0554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C796-0554
  • 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 C796-0554 available by request