C338-0129 Screening compound: N-methyl-2-[5-(4-methylphenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]-N-phenylacetamide

C338-0129 Screening compound: N-methyl-2-[5-(4-methylphenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]-N-phenylacetamide
C338-0129 Screening compound: N-methyl-2-[5-(4-methylphenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C338-0129
N-methyl-2-[5-(4-methylphenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]-N-phenylacetamide

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

C338-0129

Molecular Formula

C20H19N5O3 (C20 H19 N5 O3)

Compound Name

N-methyl-2-[5-(4-methylphenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]-N-phenylacetamide

IUPAC name

N-methyl-2-[5-(4-methylphenyl)-46-dioxo-1H3aH4H5H6H6aH-pyrrolo[34-d][123]triazol-1-yl]-N-phenylacetamide

SMILES

Cc(cc1)ccc1N(C(C1N(CC(N(C)c2ccccc2)=O)N=NC11)=O)C1=O

InChI

InChI=1S/C20H19N5O3/c1-13-8-10-15(11-9-13)25-19(27)17-18(20(25)28)24(22-21-17)12-16(26)23(2)14-6-4-3-5-7-14/h3-11,17-18H,12H2,1-2H3

InChI Key

ONEYCAGBOWKTDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14749755

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.866

Distribution Coefficient, logD

0.865

Water Solubility, LogSw

-1.39

Polar Surface Area

72.486

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.00

C338-0129 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 C338-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C338-0129?
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What is the minimum amount of C338-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C338-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C338-0129
  • 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 C338-0129 available by request