F455-0616 Screening compound: 1-[(4-chlorophenyl)methyl]-5-(4-ethylphenyl)-3-hydroxy-4-(4-methylphenyl)-2,5-dihydro-1H-pyrrol-2-one

F455-0616 Screening compound: 1-[(4-chlorophenyl)methyl]-5-(4-ethylphenyl)-3-hydroxy-4-(4-methylphenyl)-2,5-dihydro-1H-pyrrol-2-one
F455-0616 Screening compound: 1-[(4-chlorophenyl)methyl]-5-(4-ethylphenyl)-3-hydroxy-4-(4-methylphenyl)-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F455-0616
1-[(4-chlorophenyl)methyl]-5-(4-ethylphenyl)-3-hydroxy-4-(4-methylphenyl)-2,5-dihydro-1H-pyrrol-2-one

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

F455-0616

Molecular Formula

C26H24ClNO2 (C26 H24 ClNO2)

Compound Name

1-[(4-chlorophenyl)methyl]-5-(4-ethylphenyl)-3-hydroxy-4-(4-methylphenyl)-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

1-[(4-chlorophenyl)methyl]-5-(4-ethylphenyl)-3-hydroxy-4-(4-methylphenyl)-25-dihydro-1H-pyrrol-2-one

SMILES

CCc1ccc(C(C(c2ccc(C)cc2)=C2O)N(Cc(cc3)ccc3Cl)C2=O)cc1

InChI

InChI=1S/C26H24ClNO2/c1-3-18-6-12-21(13-7-18)24-23(20-10-4-17(2)5-11-20)25(29)26(30)28(24)16-19-8-14-22(27)15-9-19/h4-15,24,29H,3,16H2,1-2H3/t24-/m1/s1

InChI Key

KXWZWOACYBMNMY-XMMPIXPASA-N

MDL Number (MFCD)

MFCD27130509

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.93

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.270

Distribution Coefficient, logD

6.269

Water Solubility, LogSw

-6.16

Polar Surface Area

31.088

Acid Dissociation Constant (pKa)

10.25

Base Dissociation Constant (pKb)

-5.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

F455-0616 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 F455-0616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F455-0616?
Check Price and Availability of F455-0616, 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 F455-0616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F455-0616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F455-0616
  • 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 F455-0616 available by request