F232-1172 Screening compound: methyl 4-{4-hydroxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylbenzenesulfonyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}benzoate

F232-1172 Screening compound: methyl 4-{4-hydroxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylbenzenesulfonyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}benzoate
F232-1172 Screening compound: methyl 4-{4-hydroxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylbenzenesulfonyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F232-1172
methyl 4-{4-hydroxy-1-[(3-methoxyphenyl)methyl]-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

F232-1172

Molecular Formula

C27H25NO7S (C27 H25 NO7 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1S(C(C(c(cc1)ccc1C(OC)=O)N(Cc1cc(OC)ccc1)C1=O)=C1O)(=O)=O

InChI

InChI=1S/C27H25NO7S/c1-17-7-13-22(14-8-17)36(32,33)25-23(19-9-11-20(12-10-19)27(31)35-3)28(26(30)24(25)29)16-18-5-4-6-21(15-18)34-2/h4-15,23,29H,16H2,1-3H3/t23-/m1/s1

InChI Key

QNHJWILBQQPJAR-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD27109128

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.56

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.439

Distribution Coefficient, logD

4.407

Water Solubility, LogSw

-4.33

Polar Surface Area

89.578

Acid Dissociation Constant (pKa)

8.52

Base Dissociation Constant (pKb)

-8.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.50

F232-1172 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 F232-1172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F232-1172?
Check Price and Availability of F232-1172, 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 F232-1172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F232-1172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F232-1172
  • 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 F232-1172 available by request