F455-0575 Screening compound: 3-hydroxy-4-(4-methoxyphenyl)-1-{[4-(methylsulfanyl)phenyl]methyl}-5-[4-(propan-2-yl)phenyl]-2,5-dihydro-1H-pyrrol-2-one

F455-0575 Screening compound: 3-hydroxy-4-(4-methoxyphenyl)-1-{[4-(methylsulfanyl)phenyl]methyl}-5-[4-(propan-2-yl)phenyl]-2,5-dihydro-1H-pyrrol-2-one
F455-0575 Screening compound: 3-hydroxy-4-(4-methoxyphenyl)-1-{[4-(methylsulfanyl)phenyl]methyl}-5-[4-(propan-2-yl)phenyl]-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F455-0575
3-hydroxy-4-(4-methoxyphenyl)-1-{[4-(methylsulfanyl)phenyl]methyl}-5-[4-(propan-2-yl)phenyl]-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

F455-0575

Molecular Formula

C28H29NO3S (C28 H29 NO3 S)

Compound Name

3-hydroxy-4-(4-methoxyphenyl)-1-{[4-(methylsulfanyl)phenyl]methyl}-5-[4-(propan-2-yl)phenyl]-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

3-hydroxy-4-(4-methoxyphenyl)-1-{[4-(methylsulfanyl)phenyl]methyl}-5-[4-(propan-2-yl)phenyl]-25-dihydro-1H-pyrrol-2-one

SMILES

CC(C)c1ccc(C(C(c(cc2)ccc2OC)=C2O)N(Cc(cc3)ccc3SC)C2=O)cc1

InChI

InChI=1S/C28H29NO3S/c1-18(2)20-7-9-22(10-8-20)26-25(21-11-13-23(32-3)14-12-21)27(30)28(31)29(26)17-19-5-15-24(33-4)16-6-19/h5-16,18,26,30H,17H2,1-4H3/t26-/m1/s1

InChI Key

DSEWFRSXDIYNKS-AREMUKBSSA-N

MDL Number (MFCD)

MFCD27130481

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.361

Distribution Coefficient, logD

6.360

Water Solubility, LogSw

-5.54

Polar Surface Area

38.632

Acid Dissociation Constant (pKa)

10.25

Base Dissociation Constant (pKb)

-5.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

F455-0575 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 F455-0575 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F455-0575?
Check Price and Availability of F455-0575, 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 F455-0575 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F455-0575
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F455-0575
  • 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 F455-0575 available by request