F455-0433 Screening compound: 4-(4-hydroxy-1-{[4-(methylsulfanyl)phenyl]methyl}-5-oxo-3-phenyl-2,5-dihydro-1H-pyrrol-2-yl)benzoic acid

F455-0433 Screening compound: 4-(4-hydroxy-1-{[4-(methylsulfanyl)phenyl]methyl}-5-oxo-3-phenyl-2,5-dihydro-1H-pyrrol-2-yl)benzoic acid
F455-0433 Screening compound: 4-(4-hydroxy-1-{[4-(methylsulfanyl)phenyl]methyl}-5-oxo-3-phenyl-2,5-dihydro-1H-pyrrol-2-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound F455-0433
4-(4-hydroxy-1-{[4-(methylsulfanyl)phenyl]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

F455-0433

Molecular Formula

C25H21NO4S (C25 H21 NO4 S)

Compound Name

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

IUPAC name

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

SMILES

CSc1ccc(CN(C(C(c2ccccc2)=C2O)c(cc3)ccc3C(O)=O)C2=O)cc1

InChI

InChI=1S/C25H21NO4S/c1-31-20-13-7-16(8-14-20)15-26-22(18-9-11-19(12-10-18)25(29)30)21(23(27)24(26)28)17-5-3-2-4-6-17/h2-14,22,27H,15H2,1H3,(H,29,30)/t22-/m1/s1

InChI Key

UMLPUPAIRZBJCI-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD27130424

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.784

Distribution Coefficient, logD

1.812

Water Solubility, LogSw

-4.40

Polar Surface Area

59.496

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

-6.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.00

F455-0433 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Proteases
  • Kinases

References: we are preparing a list of scientific research reports with F455-0433 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F455-0433?
Check Price and Availability of F455-0433, 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 F455-0433 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F455-0433
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F455-0433
  • 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 F455-0433 available by request