2150-0447 Screening compound: N-{4-[(3E)-3-[(4-methoxyphenyl)methylidene]-2-oxo-5-phenyl-2,3-dihydro-1H-pyrrol-1-yl]phenyl}acetamide

2150-0447 Screening compound: N-{4-[(3E)-3-[(4-methoxyphenyl)methylidene]-2-oxo-5-phenyl-2,3-dihydro-1H-pyrrol-1-yl]phenyl}acetamide
2150-0447 Screening compound: N-{4-[(3E)-3-[(4-methoxyphenyl)methylidene]-2-oxo-5-phenyl-2,3-dihydro-1H-pyrrol-1-yl]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2150-0447
N-{4-[(3E)-3-[(4-methoxyphenyl)methylidene]-2-oxo-5-phenyl-2,3-dihydro-1H-pyrrol-1-yl]phenyl}acetamide

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

2150-0447

Molecular Formula

C26H22N2O3 (C26 H22 N2 O3)

Compound Name

N-{4-[(3E)-3-[(4-methoxyphenyl)methylidene]-2-oxo-5-phenyl-2,3-dihydro-1H-pyrrol-1-yl]phenyl}acetamide

IUPAC name

N-{4-[(3E)-3-[(4-methoxyphenyl)methylidene]-2-oxo-5-phenyl-23-dihydro-1H-pyrrol-1-yl]phenyl}acetamide

SMILES

CC(Nc(cc1)ccc1N(C(c1ccccc1)=C/C1=C\c(cc2)ccc2OC)C1=O)=O

InChI

InChI=1S/C26H22N2O3/c1-18(29)27-22-10-12-23(13-11-22)28-25(20-6-4-3-5-7-20)17-21(26(28)30)16-19-8-14-24(31-2)15-9-19/h3-17H,1-2H3,(H,27,29)

InChI Key

GCEAYIJPDUXZGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01839780

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.341

Distribution Coefficient, logD

4.341

Water Solubility, LogSw

-4.38

Polar Surface Area

45.853

Acid Dissociation Constant (pKa)

12.73

Base Dissociation Constant (pKb)

-2.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

2150-0447 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2150-0447 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2150-0447?
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What is the minimum amount of 2150-0447 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2150-0447
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2150-0447
  • 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 2150-0447 available by request