C202-3662 Screening compound: 1-(3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-5-yl)-5-(2-fluorophenyl)-3-hydroxy-4-(4-methylphenyl)-2,5-dihydro-1H-pyrrol-2-one

C202-3662 Screening compound: 1-(3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-5-yl)-5-(2-fluorophenyl)-3-hydroxy-4-(4-methylphenyl)-2,5-dihydro-1H-pyrrol-2-one
C202-3662 Screening compound: 1-(3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-5-yl)-5-(2-fluorophenyl)-3-hydroxy-4-(4-methylphenyl)-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-3662
1-(3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-5-yl)-5-(2-fluorophenyl)-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

C202-3662

Molecular Formula

C26H19ClF2N4O2S (C26 H19 ClF2 N4 O2 S)

Compound Name

1-(3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-5-yl)-5-(2-fluorophenyl)-3-hydroxy-4-(4-methylphenyl)-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

1-(3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1H-124-triazol-5-yl)-5-(2-fluorophenyl)-3-hydroxy-4-(4-methylphenyl)-25-dihydro-1H-pyrrol-2-one

SMILES

Cc(cc1)ccc1C(C(c(cccc1)c1F)N(C1=O)c2nc(SCc(c(F)ccc3)c3Cl)n[nH]2)=C1O

InChI

InChI=1S/C26H19ClF2N4O2S/c1-14-9-11-15(12-10-14)21-22(16-5-2-3-7-19(16)28)33(24(35)23(21)34)25-30-26(32-31-25)36-13-17-18(27)6-4-8-20(17)29/h2-12,22,34H,13H2,1H3,(H,30,31,32)/t22-/m1/s1

InChI Key

KIFKERJCOVICBW-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD26963403

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.98

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.244

Distribution Coefficient, logD

6.237

Water Solubility, LogSw

-5.70

Polar Surface Area

61.911

Acid Dissociation Constant (pKa)

9.21

Base Dissociation Constant (pKb)

-3.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.50

C202-3662 in Drug Discovery

Included in Screening Libraries

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C202-3662 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-3662?
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What is the minimum amount of C202-3662 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-3662
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-3662
  • 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 C202-3662 available by request