C433-0194 Screening compound: 2-{4,6-dioxo-5-[4-(propan-2-yl)phenyl]-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl}-N-(4-ethylphenyl)acetamide

C433-0194 Screening compound: 2-{4,6-dioxo-5-[4-(propan-2-yl)phenyl]-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl}-N-(4-ethylphenyl)acetamide
C433-0194 Screening compound: 2-{4,6-dioxo-5-[4-(propan-2-yl)phenyl]-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl}-N-(4-ethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C433-0194
2-{4,6-dioxo-5-[4-(propan-2-yl)phenyl]-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl}-N-(4-ethylphenyl)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

C433-0194

Molecular Formula

C23H25N5O3 (C23 H25 N5 O3)

Compound Name

2-{4,6-dioxo-5-[4-(propan-2-yl)phenyl]-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl}-N-(4-ethylphenyl)acetamide

IUPAC name

2-{46-dioxo-5-[4-(propan-2-yl)phenyl]-1H3aH4H5H6H6aH-pyrrolo[34-d][123]triazol-1-yl}-N-(4-ethylphenyl)acetamide

SMILES

CCc(cc1)ccc1NC(CN(C1C(N2c3ccc(C(C)C)cc3)=O)N=NC1C2=O)=O

InChI

InChI=1S/C23H25N5O3/c1-4-15-5-9-17(10-6-15)24-19(29)13-27-21-20(25-26-27)22(30)28(23(21)31)18-11-7-16(8-12-18)14(2)3/h5-12,14,20-21H,4,13H2,1-3H3,(H,24,29)

InChI Key

SPUZIUGGDXHMRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07655826

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.514

Distribution Coefficient, logD

3.514

Water Solubility, LogSw

-3.52

Polar Surface Area

80.522

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

0.85

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.80

C433-0194 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 C433-0194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C433-0194?
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What is the minimum amount of C433-0194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C433-0194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C433-0194
  • 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 C433-0194 available by request