C338-0115 Screening compound: N-(4-ethoxyphenyl)-2-[5-(4-methylphenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]acetamide

C338-0115 Screening compound: N-(4-ethoxyphenyl)-2-[5-(4-methylphenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]acetamide
C338-0115 Screening compound: N-(4-ethoxyphenyl)-2-[5-(4-methylphenyl)-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 C338-0115
N-(4-ethoxyphenyl)-2-[5-(4-methylphenyl)-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

C338-0115

Molecular Formula

C21H21N5O4 (C21 H21 N5 O4)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H21N5O4/c1-3-30-16-10-6-14(7-11-16)22-17(27)12-25-19-18(23-24-25)20(28)26(21(19)29)15-8-4-13(2)5-9-15/h4-11,18-19H,3,12H2,1-2H3,(H,22,27)

InChI Key

RFQJJVFEDIUGBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08540907

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.038

Distribution Coefficient, logD

2.038

Water Solubility, LogSw

-2.73

Polar Surface Area

87.646

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

1.51

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.60

C338-0115 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 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
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C338-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C338-0115?
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What is the minimum amount of C338-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C338-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C338-0115
  • 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 C338-0115 available by request