C338-0180 Screening compound: 2-[5-(4-chlorophenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]-N,N-diphenylacetamide

C338-0180 Screening compound: 2-[5-(4-chlorophenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]-N,N-diphenylacetamide
C338-0180 Screening compound: 2-[5-(4-chlorophenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]-N,N-diphenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C338-0180
2-[5-(4-chlorophenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]-N,N-diphenylacetamide

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

C338-0180

Molecular Formula

C24H18ClN5O3 (C24 H18 ClN5 O3)

Compound Name

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

IUPAC name

2-[5-(4-chlorophenyl)-46-dioxo-1H3aH4H5H6H6aH-pyrrolo[34-d][123]triazol-1-yl]-NN-diphenylacetamide

SMILES

O=C(CN(C1C(N2c(cc3)ccc3Cl)=O)N=NC1C2=O)N(c1ccccc1)c1ccccc1

InChI

InChI=1S/C24H18ClN5O3/c25-16-11-13-19(14-12-16)30-23(32)21-22(24(30)33)28(27-26-21)15-20(31)29(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,21-22H,15H2

InChI Key

JEDRYOFIUJGPDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07655168

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.89

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.522

Distribution Coefficient, logD

2.522

Water Solubility, LogSw

-2.83

Polar Surface Area

71.987

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

2.31

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

12.50

C338-0180 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

DGK Inhibitors Library (10558 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
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Proteases
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C338-0180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C338-0180?
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What is the minimum amount of C338-0180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C338-0180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C338-0180
  • 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 C338-0180 available by request