2150-0432 Screening compound: 3-[(3E)-3-[(4-methoxyphenyl)methylidene]-2-oxo-5-phenyl-2,3-dihydro-1H-pyrrol-1-yl]benzoic acid

2150-0432 Screening compound: 3-[(3E)-3-[(4-methoxyphenyl)methylidene]-2-oxo-5-phenyl-2,3-dihydro-1H-pyrrol-1-yl]benzoic acid
2150-0432 Screening compound: 3-[(3E)-3-[(4-methoxyphenyl)methylidene]-2-oxo-5-phenyl-2,3-dihydro-1H-pyrrol-1-yl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2150-0432
3-[(3E)-3-[(4-methoxyphenyl)methylidene]-2-oxo-5-phenyl-2,3-dihydro-1H-pyrrol-1-yl]benzoic 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

2150-0432

Molecular Formula

C25H19NO4 (C25 H19 NO4)

Compound Name

3-[(3E)-3-[(4-methoxyphenyl)methylidene]-2-oxo-5-phenyl-2,3-dihydro-1H-pyrrol-1-yl]benzoic acid

IUPAC name

3-[(3E)-3-[(4-methoxyphenyl)methylidene]-2-oxo-5-phenyl-23-dihydro-1H-pyrrol-1-yl]benzoic acid

SMILES

COc1ccc(/C=C(\C=C(c2ccccc2)N2c3cc(C(O)=O)ccc3)/C2=O)cc1

InChI

InChI=1S/C25H19NO4/c1-30-22-12-10-17(11-13-22)14-20-16-23(18-6-3-2-4-7-18)26(24(20)27)21-9-5-8-19(15-21)25(28)29/h2-16H,1H3,(H,28,29)

InChI Key

VCPQWUNWAPNKFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01839777

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.077

Distribution Coefficient, logD

2.387

Water Solubility, LogSw

-4.78

Polar Surface Area

50.999

Acid Dissociation Constant (pKa)

4.71

Base Dissociation Constant (pKb)

0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

2150-0432 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 2150-0432 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2150-0432?
Check Price and Availability of 2150-0432, 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 2150-0432 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2150-0432
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2150-0432
  • 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 2150-0432 available by request