C338-0358 Screening compound: 2-[5-(3-chloro-4-methoxyphenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]-N-[3-(methylsulfanyl)phenyl]acetamide

C338-0358 Screening compound: 2-[5-(3-chloro-4-methoxyphenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]-N-[3-(methylsulfanyl)phenyl]acetamide
C338-0358 Screening compound: 2-[5-(3-chloro-4-methoxyphenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]-N-[3-(methylsulfanyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C338-0358
2-[5-(3-chloro-4-methoxyphenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]-N-[3-(methylsulfanyl)phenyl]acetamide

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

C338-0358

Molecular Formula

C20H18ClN5O4S (C20 H18 ClN5 O4 S)

Compound Name

2-[5-(3-chloro-4-methoxyphenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]-N-[3-(methylsulfanyl)phenyl]acetamide

IUPAC name

2-[5-(3-chloro-4-methoxyphenyl)-46-dioxo-1H3aH4H5H6H6aH-pyrrolo[34-d][123]triazol-1-yl]-N-[3-(methylsulfanyl)phenyl]acetamide

SMILES

COc(ccc(N(C(C1N(CC(Nc2cc(SC)ccc2)=O)N=NC11)=O)C1=O)c1)c1Cl

InChI

InChI=1S/C20H18ClN5O4S/c1-30-15-7-6-12(9-14(15)21)26-19(28)17-18(20(26)29)25(24-23-17)10-16(27)22-11-4-3-5-13(8-11)31-2/h3-9,17-18H,10H2,1-2H3,(H,22,27)

InChI Key

XZYRGENANYOOMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07655881

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.91

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.082

Distribution Coefficient, logD

2.082

Water Solubility, LogSw

-3.13

Polar Surface Area

88.152

Acid Dissociation Constant (pKa)

10.75

Base Dissociation Constant (pKb)

0.48

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.00

C338-0358 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Proteases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C338-0358 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C338-0358?
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What is the minimum amount of C338-0358 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C338-0358
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C338-0358
  • 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 C338-0358 available by request