C338-0506 Screening compound: N-(3,4-dimethylphenyl)-2-[5-(3,4-dimethylphenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]acetamide

C338-0506 Screening compound: N-(3,4-dimethylphenyl)-2-[5-(3,4-dimethylphenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]acetamide
C338-0506 Screening compound: N-(3,4-dimethylphenyl)-2-[5-(3,4-dimethylphenyl)-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 C338-0506
N-(3,4-dimethylphenyl)-2-[5-(3,4-dimethylphenyl)-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

C338-0506

Molecular Formula

C22H23N5O3 (C22 H23 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)c(C)cc1NC(CN(C1C(N2c3cc(C)c(C)cc3)=O)N=NC1C2=O)=O

InChI

InChI=1S/C22H23N5O3/c1-12-5-7-16(9-14(12)3)23-18(28)11-26-20-19(24-25-26)21(29)27(22(20)30)17-8-6-13(2)15(4)10-17/h5-10,19-20H,11H2,1-4H3,(H,23,28)

InChI Key

QTNRYJHUERNZRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07655973

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.366

Distribution Coefficient, logD

3.365

Water Solubility, LogSw

-3.33

Polar Surface Area

80.522

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

3.51

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.80

C338-0506 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 C338-0506 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C338-0506?
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What is the minimum amount of C338-0506 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C338-0506
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C338-0506
  • 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 C338-0506 available by request