C433-0139 Screening compound: N-(2,4-dimethoxyphenyl)-2-[5-(4-ethoxyphenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]acetamide

C433-0139 Screening compound: N-(2,4-dimethoxyphenyl)-2-[5-(4-ethoxyphenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]acetamide
C433-0139 Screening compound: N-(2,4-dimethoxyphenyl)-2-[5-(4-ethoxyphenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C433-0139
N-(2,4-dimethoxyphenyl)-2-[5-(4-ethoxyphenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]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

C433-0139

Molecular Formula

C22H23N5O6 (C22 H23 N5 O6)

Compound Name

N-(2,4-dimethoxyphenyl)-2-[5-(4-ethoxyphenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]acetamide

IUPAC name

N-(24-dimethoxyphenyl)-2-[5-(4-ethoxyphenyl)-46-dioxo-1H3aH4H5H6H6aH-pyrrolo[34-d][123]triazol-1-yl]acetamide

SMILES

CCOc(cc1)ccc1N(C(C1N(CC(Nc(ccc(OC)c2)c2OC)=O)N=NC11)=O)C1=O

InChI

InChI=1S/C22H23N5O6/c1-4-33-14-7-5-13(6-8-14)27-21(29)19-20(22(27)30)26(25-24-19)12-18(28)23-16-10-9-15(31-2)11-17(16)32-3/h5-11,19-20H,4,12H2,1-3H3,(H,23,28)

InChI Key

ZPHJVUHJYOLVTQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07655583

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.45

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.360

Distribution Coefficient, logD

1.360

Water Solubility, LogSw

-2.42

Polar Surface Area

102.122

Acid Dissociation Constant (pKa)

11.00

Base Dissociation Constant (pKb)

3.96

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.80

C433-0139 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 C433-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C433-0139?
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What is the minimum amount of C433-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C433-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C433-0139
  • 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 C433-0139 available by request