F455-0457 Screening compound: methyl 4-{1-[(4-chlorophenyl)methyl]-4-hydroxy-5-oxo-3-phenyl-2,5-dihydro-1H-pyrrol-2-yl}benzoate

F455-0457 Screening compound: methyl 4-{1-[(4-chlorophenyl)methyl]-4-hydroxy-5-oxo-3-phenyl-2,5-dihydro-1H-pyrrol-2-yl}benzoate
F455-0457 Screening compound: methyl 4-{1-[(4-chlorophenyl)methyl]-4-hydroxy-5-oxo-3-phenyl-2,5-dihydro-1H-pyrrol-2-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F455-0457
methyl 4-{1-[(4-chlorophenyl)methyl]-4-hydroxy-5-oxo-3-phenyl-2,5-dihydro-1H-pyrrol-2-yl}benzoate

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

F455-0457

Molecular Formula

C25H20ClNO4 (C25 H20 ClNO4)

Compound Name

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

IUPAC name

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

SMILES

COC(c1ccc(C(C(c2ccccc2)=C2O)N(Cc(cc3)ccc3Cl)C2=O)cc1)=O

InChI

InChI=1S/C25H20ClNO4/c1-31-25(30)19-11-9-18(10-12-19)22-21(17-5-3-2-4-6-17)23(28)24(29)27(22)15-16-7-13-20(26)14-8-16/h2-14,22,28H,15H2,1H3/t22-/m1/s1

InChI Key

LHFKPFWGNJSFSZ-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD18171850

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.902

Distribution Coefficient, logD

4.901

Water Solubility, LogSw

-5.01

Polar Surface Area

52.262

Acid Dissociation Constant (pKa)

10.25

Base Dissociation Constant (pKb)

-6.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.00

F455-0457 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F455-0457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F455-0457?
Check Price and Availability of F455-0457, 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 F455-0457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F455-0457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F455-0457
  • 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 F455-0457 available by request