F455-0397 Screening compound: 4-{4-hydroxy-1-[(3-methoxyphenyl)methyl]-5-oxo-3-phenyl-2,5-dihydro-1H-pyrrol-2-yl}benzoic acid

F455-0397 Screening compound: 4-{4-hydroxy-1-[(3-methoxyphenyl)methyl]-5-oxo-3-phenyl-2,5-dihydro-1H-pyrrol-2-yl}benzoic acid
F455-0397 Screening compound: 4-{4-hydroxy-1-[(3-methoxyphenyl)methyl]-5-oxo-3-phenyl-2,5-dihydro-1H-pyrrol-2-yl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound F455-0397
4-{4-hydroxy-1-[(3-methoxyphenyl)methyl]-5-oxo-3-phenyl-2,5-dihydro-1H-pyrrol-2-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

F455-0397

Molecular Formula

C25H21NO5 (C25 H21 NO5)

Compound Name

4-{4-hydroxy-1-[(3-methoxyphenyl)methyl]-5-oxo-3-phenyl-2,5-dihydro-1H-pyrrol-2-yl}benzoic acid

IUPAC name

4-{4-hydroxy-1-[(3-methoxyphenyl)methyl]-5-oxo-3-phenyl-25-dihydro-1H-pyrrol-2-yl}benzoic acid

SMILES

COc1cccc(CN(C(C(c2ccccc2)=C2O)c(cc3)ccc3C(O)=O)C2=O)c1

InChI

InChI=1S/C25H21NO5/c1-31-20-9-5-6-16(14-20)15-26-22(18-10-12-19(13-11-18)25(29)30)21(23(27)24(26)28)17-7-3-2-4-8-17/h2-14,22,27H,15H2,1H3,(H,29,30)/t22-/m0/s1

InChI Key

KLTMMEBCUREELU-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD18171842

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.120

Distribution Coefficient, logD

1.148

Water Solubility, LogSw

-4.30

Polar Surface Area

67.040

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

-4.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.00

F455-0397 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F455-0397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F455-0397?
Check Price and Availability of F455-0397, 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 F455-0397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F455-0397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F455-0397
  • 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 F455-0397 available by request