C200-9428 Screening compound: ethyl 2-{4,6-dioxo-5-[4-(propan-2-yl)phenyl]-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl}acetate

C200-9428 Screening compound: ethyl 2-{4,6-dioxo-5-[4-(propan-2-yl)phenyl]-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl}acetate
C200-9428 Screening compound: ethyl 2-{4,6-dioxo-5-[4-(propan-2-yl)phenyl]-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-9428
ethyl 2-{4,6-dioxo-5-[4-(propan-2-yl)phenyl]-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl}acetate

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

C200-9428

Molecular Formula

C17H20N4O4 (C17 H20 N4 O4)

Compound Name

ethyl 2-{4,6-dioxo-5-[4-(propan-2-yl)phenyl]-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl}acetate

IUPAC name

ethyl 2-{46-dioxo-5-[4-(propan-2-yl)phenyl]-1H3aH4H5H6H6aH-pyrrolo[34-d][123]triazol-1-yl}acetate

SMILES

CCOC(CN(C1C(N2c3ccc(C(C)C)cc3)=O)N=NC1C2=O)=O

InChI

InChI=1S/C17H20N4O4/c1-4-25-13(22)9-20-15-14(18-19-20)16(23)21(17(15)24)12-7-5-11(6-8-12)10(2)3/h5-8,10,14-15H,4,9H2,1-3H3

InChI Key

SQJRNDVGQZZUCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14729151

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.587

Distribution Coefficient, logD

1.587

Water Solubility, LogSw

-2.12

Polar Surface Area

77.803

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

-1.44

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.10

C200-9428 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 C200-9428 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-9428?
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What is the minimum amount of C200-9428 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-9428
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-9428
  • 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 C200-9428 available by request