F232-1052 Screening compound: methyl 4-[1-(4-ethylphenyl)-4-hydroxy-3-(4-methylbenzenesulfonyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate

F232-1052 Screening compound: methyl 4-[1-(4-ethylphenyl)-4-hydroxy-3-(4-methylbenzenesulfonyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate
F232-1052 Screening compound: methyl 4-[1-(4-ethylphenyl)-4-hydroxy-3-(4-methylbenzenesulfonyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F232-1052
methyl 4-[1-(4-ethylphenyl)-4-hydroxy-3-(4-methylbenzenesulfonyl)-5-oxo-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

F232-1052

Molecular Formula

C27H25NO6S (C27 H25 NO6 S)

Compound Name

methyl 4-[1-(4-ethylphenyl)-4-hydroxy-3-(4-methylbenzenesulfonyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate

IUPAC name

methyl 4-[1-(4-ethylphenyl)-4-hydroxy-3-(4-methylbenzenesulfonyl)-5-oxo-25-dihydro-1H-pyrrol-2-yl]benzoate

SMILES

CCc(cc1)ccc1N(C(C(S(c1ccc(C)cc1)(=O)=O)=C1O)c(cc2)ccc2C(OC)=O)C1=O

InChI

InChI=1S/C27H25NO6S/c1-4-18-7-13-21(14-8-18)28-23(19-9-11-20(12-10-19)27(31)34-3)25(24(29)26(28)30)35(32,33)22-15-5-17(2)6-16-22/h5-16,23,29H,4H2,1-3H3/t23-/m1/s1

InChI Key

XFBVOIQHPCEUGG-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD27109104

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.289

Distribution Coefficient, logD

5.277

Water Solubility, LogSw

-5.22

Polar Surface Area

81.423

Acid Dissociation Constant (pKa)

8.98

Base Dissociation Constant (pKb)

-8.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.50

F232-1052 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Cancer
Targets:
  • Proteases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with F232-1052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F232-1052?
Check Price and Availability of F232-1052, 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 F232-1052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F232-1052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F232-1052
  • 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 F232-1052 available by request