C202-3661 Screening compound: 5-(4-chlorophenyl)-3-hydroxy-4-(4-methylphenyl)-1-[3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]-2,5-dihydro-1H-pyrrol-2-one

C202-3661 Screening compound: 5-(4-chlorophenyl)-3-hydroxy-4-(4-methylphenyl)-1-[3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]-2,5-dihydro-1H-pyrrol-2-one
C202-3661 Screening compound: 5-(4-chlorophenyl)-3-hydroxy-4-(4-methylphenyl)-1-[3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-3661
5-(4-chlorophenyl)-3-hydroxy-4-(4-methylphenyl)-1-[3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]-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

C202-3661

Molecular Formula

C20H17ClN4O2S (C20 H17 ClN4 O2 S)

Compound Name

5-(4-chlorophenyl)-3-hydroxy-4-(4-methylphenyl)-1-[3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

5-(4-chlorophenyl)-3-hydroxy-4-(4-methylphenyl)-1-[3-(methylsulfanyl)-1H-124-triazol-5-yl]-25-dihydro-1H-pyrrol-2-one

SMILES

Cc(cc1)ccc1C(C(c(cc1)ccc1Cl)N(C1=O)c2nc(SC)n[nH]2)=C1O

InChI

InChI=1S/C20H17ClN4O2S/c1-11-3-5-12(6-4-11)15-16(13-7-9-14(21)10-8-13)25(18(27)17(15)26)19-22-20(28-2)24-23-19/h3-10,16,26H,1-2H3,(H,22,23,24)/t16-/m1/s1

InChI Key

BUJDEYOLHCRICK-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD26963402

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.419

Distribution Coefficient, logD

4.412

Water Solubility, LogSw

-4.78

Polar Surface Area

62.182

Acid Dissociation Constant (pKa)

9.21

Base Dissociation Constant (pKb)

-2.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

C202-3661 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

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

Cysteine Proteases Inhibitors Library (7839 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C202-3661 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-3661?
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What is the minimum amount of C202-3661 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-3661
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-3661
  • 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 C202-3661 available by request