C202-3659 Screening compound: 1-[3-(benzylsulfanyl)-1H-1,2,4-triazol-5-yl]-5-(4-chlorophenyl)-3-hydroxy-4-phenyl-2,5-dihydro-1H-pyrrol-2-one

C202-3659 Screening compound: 1-[3-(benzylsulfanyl)-1H-1,2,4-triazol-5-yl]-5-(4-chlorophenyl)-3-hydroxy-4-phenyl-2,5-dihydro-1H-pyrrol-2-one
C202-3659 Screening compound: 1-[3-(benzylsulfanyl)-1H-1,2,4-triazol-5-yl]-5-(4-chlorophenyl)-3-hydroxy-4-phenyl-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-3659
1-[3-(benzylsulfanyl)-1H-1,2,4-triazol-5-yl]-5-(4-chlorophenyl)-3-hydroxy-4-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

C202-3659

Molecular Formula

C25H19ClN4O2S (C25 H19 ClN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

OC(C(N(C1c(cc2)ccc2Cl)c2nc(SCc3ccccc3)n[nH]2)=O)=C1c1ccccc1

InChI

InChI=1S/C25H19ClN4O2S/c26-19-13-11-18(12-14-19)21-20(17-9-5-2-6-10-17)22(31)23(32)30(21)24-27-25(29-28-24)33-15-16-7-3-1-4-8-16/h1-14,21,31H,15H2,(H,27,28,29)/t21-/m1/s1

InChI Key

NODQUBRAOVPPRD-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD26963400

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.97

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

5.097

Distribution Coefficient, logD

5.090

Water Solubility, LogSw

-5.50

Polar Surface Area

61.911

Acid Dissociation Constant (pKa)

9.21

Base Dissociation Constant (pKb)

-2.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.00

C202-3659 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C202-3659 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-3659?
Check Price and Availability of C202-3659, 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 C202-3659 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-3659
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-3659
  • 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 C202-3659 available by request