C338-0382 Screening compound: 2-[5-(3-chloro-4-methoxyphenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide

C338-0382 Screening compound: 2-[5-(3-chloro-4-methoxyphenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide
C338-0382 Screening compound: 2-[5-(3-chloro-4-methoxyphenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C338-0382
2-[5-(3-chloro-4-methoxyphenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]-N-(2-ethyl-6-methylphenyl)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

C338-0382

Molecular Formula

C22H22ClN5O4 (C22 H22 ClN5 O4)

Compound Name

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

IUPAC name

2-[5-(3-chloro-4-methoxyphenyl)-46-dioxo-1H3aH4H5H6H6aH-pyrrolo[34-d][123]triazol-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide

SMILES

CCc(cccc1C)c1NC(CN(C1C(N2c(cc3)cc(Cl)c3OC)=O)N=NC1C2=O)=O

InChI

InChI=1S/C22H22ClN5O4/c1-4-13-7-5-6-12(2)18(13)24-17(29)11-27-20-19(25-26-27)21(30)28(22(20)31)14-8-9-16(32-3)15(23)10-14/h5-10,19-20H,4,11H2,1-3H3,(H,24,29)

InChI Key

HMPPVNWBTLSFMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07655949

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.9

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

2.290

Distribution Coefficient, logD

2.289

Water Solubility, LogSw

-3.25

Polar Surface Area

86.757

Acid Dissociation Constant (pKa)

10.75

Base Dissociation Constant (pKb)

1.36

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.80

C338-0382 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 C338-0382 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C338-0382?
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What is the minimum amount of C338-0382 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C338-0382
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C338-0382
  • 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 C338-0382 available by request