C433-0039 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-[5-(3-chlorophenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]acetamide

C433-0039 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-[5-(3-chlorophenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]acetamide
C433-0039 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-[5-(3-chlorophenyl)-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 C433-0039
N-(3-chloro-4-methoxyphenyl)-2-[5-(3-chlorophenyl)-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

C433-0039

Molecular Formula

C19H15Cl2N5O4 (C19 H15 Cl2 N5 O4)

Compound Name

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

IUPAC name

N-(3-chloro-4-methoxyphenyl)-2-[5-(3-chlorophenyl)-46-dioxo-1H3aH4H5H6H6aH-pyrrolo[34-d][123]triazol-1-yl]acetamide

SMILES

COc(ccc(NC(CN(C1C(N2c3cc(Cl)ccc3)=O)N=NC1C2=O)=O)c1)c1Cl

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.26

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.396

Distribution Coefficient, logD

2.395

Water Solubility, LogSw

-3.30

Polar Surface Area

88.152

Acid Dissociation Constant (pKa)

10.57

Base Dissociation Constant (pKb)

3.04

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

21.10

C433-0039 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 C433-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C433-0039?
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What is the minimum amount of C433-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C433-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C433-0039
  • 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 C433-0039 available by request