C338-0605 Screening compound: 2-[5-(3-chloro-4-fluorophenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]-N-(2-ethylphenyl)acetamide

C338-0605 Screening compound: 2-[5-(3-chloro-4-fluorophenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]-N-(2-ethylphenyl)acetamide
C338-0605 Screening compound: 2-[5-(3-chloro-4-fluorophenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]-N-(2-ethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C338-0605
2-[5-(3-chloro-4-fluorophenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]-N-(2-ethylphenyl)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

C338-0605

Molecular Formula

C20H17ClFN5O3 (C20 H17 ClFN5 O3)

Compound Name

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

IUPAC name

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

SMILES

CCc(cccc1)c1NC(CN(C1C(N2c(cc3)cc(Cl)c3F)=O)N=NC1C2=O)=O

InChI

InChI=1S/C20H17ClFN5O3/c1-2-11-5-3-4-6-15(11)23-16(28)10-26-18-17(24-25-26)19(29)27(20(18)30)12-7-8-14(22)13(21)9-12/h3-9,17-18H,2,10H2,1H3,(H,23,28)

InChI Key

INQUKAOOEJSHBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07656044

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.84

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.340

Distribution Coefficient, logD

2.340

Water Solubility, LogSw

-3.32

Polar Surface Area

79.824

Acid Dissociation Constant (pKa)

10.75

Base Dissociation Constant (pKb)

1.19

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.00

C338-0605 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 C338-0605 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C338-0605?
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What is the minimum amount of C338-0605 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C338-0605
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C338-0605
  • 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 C338-0605 available by request